data_6g99_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6g99 _Structure_validation_residue.Date_analyzed 2019-02-15 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' B' B ' 426' ' ' TRP . . . . . 0.426 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 59.9 p-90 . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.653 0.263 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -95.9 147.74 23.35 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -178.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 428' ' ' CYS . . . . . 0.48 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 49.8 t -61.85 130.09 92.19 Favored Pre-proline 0 N--CA 1.452 -0.372 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.8 -13.49 21.88 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 123.421 2.747 . . . . 0.0 111.562 -178.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -70.91 124.88 91.76 Favored Pre-proline 0 CA--C 1.534 0.33 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.97 -17.34 46.29 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 122.636 2.224 . . . . 0.0 110.623 177.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.3 p -90.2 0.74 57.04 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 176.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 433' ' ' CYS . . . . . 0.499 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 48.1 t -121.94 -69.74 0.82 Allowed 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.093 0.557 . . . . 0.0 110.606 -175.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 53.07 17.08 0.85 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.017 0.927 . . . . 0.0 112.749 -177.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -69.58 145.47 52.52 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.7 tpt -84.33 136.54 33.86 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.903 -0.776 . . . . 0.0 108.903 177.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -123.09 145.27 48.71 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.853 0.359 . . . . 0.0 110.992 -175.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -65.03 154.2 38.46 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.11 -0.496 . . . . 0.0 112.067 178.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 39.0 t -62.3 -32.02 72.7 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -173.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 56.9 p-90 -80.37 -9.44 59.75 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -176.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -78.18 147.1 34.65 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 117.894 0.315 . . . . 0.0 110.477 175.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 442' ' ' ASN . . . . . 0.441 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 90.3 m-20 -111.93 -5.47 14.34 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 122.602 0.361 . . . . 0.0 110.783 174.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -141.77 159.84 41.41 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.013 0.525 . . . . 0.0 110.202 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 444' ' ' CYS . . . . . 0.499 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 50.9 t -63.58 147.74 50.67 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.646 -177.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -81.09 -3.12 50.92 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -177.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -135.41 -37.93 0.76 Allowed 'General case' 0 C--N 1.342 0.272 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -171.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 447' ' ' CYS . . . . . 0.48 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 28.9 p -118.23 3.03 12.0 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -178.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp 58.41 15.87 3.77 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.875 0.87 . . . . 0.0 112.741 176.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.79 140.16 97.19 Favored Pre-proline 0 CA--C 1.53 0.203 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.59 149.05 67.45 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.949 2.433 . . . . 0.0 111.089 -176.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 451' ' ' LYS . . . . . 0.441 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.2 ttmt -67.37 -55.22 15.72 Favored Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.478 174.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo . . . . . 0 N--CA 1.452 -0.936 0 C-N-CA 122.815 2.344 . . . . 0.0 110.695 172.063 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 426' ' ' TRP . . . . . 0.434 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 65.1 p-90 . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.89 0.376 . . . . 0.0 110.53 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -89.51 145.57 25.2 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 428' ' ' CYS . . . . . 0.473 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 49.0 t -60.45 131.04 90.38 Favored Pre-proline 0 N--CA 1.452 -0.374 0 C-N-CA 122.707 0.403 . . . . 0.0 109.941 179.058 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.65 -13.92 27.24 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.661 2.907 . . . . 0.0 111.541 -178.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -71.13 125.13 91.94 Favored Pre-proline 0 CA--C 1.532 0.279 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -67.25 -18.27 50.43 Favored 'Trans proline' 0 N--CA 1.451 -0.986 0 C-N-CA 122.715 2.277 . . . . 0.0 110.948 178.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 1.9 p -90.43 1.39 56.68 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 176.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 433' ' ' CYS . . . . . 0.507 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 42.6 t -120.06 -70.05 0.81 Allowed 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 122.914 0.486 . . . . 0.0 110.38 -176.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 52.9 20.6 1.7 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.797 0.839 . . . . 0.0 112.629 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -70.51 142.32 51.86 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 122.238 -0.289 . . . . 0.0 110.34 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -83.21 100.23 10.45 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 176.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -85.49 147.75 26.3 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.639 0.256 . . . . 0.0 110.42 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -71.14 158.42 36.48 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 48.4 t -61.33 -28.84 69.5 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -171.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 48.2 p-90 -83.77 -10.55 58.01 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -176.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -78.68 148.04 33.29 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 118.122 0.419 . . . . 0.0 110.282 176.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 442' ' ' ASN . . . . . 0.502 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 88.2 m-20 -113.98 -7.7 13.11 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 122.651 0.38 . . . . 0.0 110.394 173.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 28.5 mp0 -135.43 157.82 45.92 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.629 0.772 . . . . 0.0 109.805 178.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 444' ' ' CYS . . . . . 0.507 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 49.8 t -64.69 148.71 50.49 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.309 -178.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -90.64 3.95 52.75 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.177 -176.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -136.62 -32.95 0.81 Allowed 'General case' 0 C--N 1.341 0.212 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -171.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 447' ' ' CYS . . . . . 0.473 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 27.0 p -130.55 3.81 4.61 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.591 0.357 . . . . 0.0 111.883 -179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt 58.32 17.4 4.69 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.129 0.971 . . . . 0.0 113.195 175.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -66.49 141.57 97.18 Favored Pre-proline 0 CA--C 1.53 0.204 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.22 149.67 70.6 Favored 'Trans proline' 0 N--CA 1.449 -1.138 0 C-N-CA 123.215 2.61 . . . . 0.0 111.054 -176.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 451' ' ' LYS . . . . . 0.502 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 19.4 ttmt -68.49 -55.13 12.47 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-O 119.197 -0.43 . . . . 0.0 110.485 174.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo . . . . . 0 N--CA 1.449 -1.124 0 C-N-CA 122.882 2.388 . . . . 0.0 110.411 171.542 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 426' ' ' TRP . . . . . 0.428 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 67.8 p-90 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -84.37 143.96 29.12 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.746 -0.206 . . . . 0.0 110.527 -176.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 428' ' ' CYS . . . . . 0.484 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 46.9 t -62.19 131.74 93.66 Favored Pre-proline 0 N--CA 1.449 -0.478 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 177.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.49 -12.76 27.37 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.4 2.733 . . . . 0.0 111.704 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -72.84 124.37 90.66 Favored Pre-proline 0 CA--C 1.533 0.318 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -66.66 -17.89 53.09 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 122.764 2.309 . . . . 0.0 110.715 177.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 1.7 p -90.02 2.11 55.55 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 175.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 433' ' ' CYS . . . . . 0.493 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 47.4 t -121.96 -68.68 0.88 Allowed 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 122.929 0.491 . . . . 0.0 110.505 -176.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 52.49 19.5 1.2 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.905 0.882 . . . . 0.0 112.628 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -71.42 137.14 48.07 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 122.258 -0.276 . . . . 0.0 110.27 178.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 1.1 ttm -81.55 108.32 15.03 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 173.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -87.47 149.52 24.36 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.132 0.573 . . . . 0.0 110.702 -178.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -63.17 153.92 32.88 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 178.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 92.2 p -61.95 -26.19 68.05 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -173.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 58.3 p-90 -88.97 -8.98 53.1 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -176.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -77.79 147.06 35.46 Favored 'General case' 0 C--N 1.339 0.111 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 176.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 442' ' ' ASN . . . . . 0.453 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 89.6 m-20 -111.43 -5.77 14.55 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 122.598 0.359 . . . . 0.0 110.604 175.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -141.75 159.27 42.57 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.069 0.548 . . . . 0.0 109.724 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 444' ' ' CYS . . . . . 0.493 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 51.5 t -64.58 146.82 54.06 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.137 0.494 . . . . 0.0 110.083 -176.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -88.15 2.86 51.14 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.039 -176.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -136.05 -32.06 0.89 Allowed 'General case' 0 C--N 1.339 0.12 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -170.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 447' ' ' CYS . . . . . 0.484 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 26.0 p -131.49 4.41 4.29 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 58.06 17.56 4.54 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.129 0.972 . . . . 0.0 113.379 175.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -66.7 141.61 97.02 Favored Pre-proline 0 N--CA 1.453 -0.29 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 175.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.89 149.96 66.8 Favored 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 123.01 2.473 . . . . 0.0 111.243 -176.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 451' ' ' LYS . . . . . 0.453 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.3 ttmt -68.27 -55.42 12.61 Favored Pre-proline 0 CA--C 1.532 0.278 0 C-N-CA 122.88 0.472 . . . . 0.0 110.129 174.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo . . . . . 0 N--CA 1.452 -0.945 0 C-N-CA 122.526 2.151 . . . . 0.0 110.631 170.93 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 426' ' ' TRP . . . . . 0.436 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 57.6 p-90 . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 120.973 0.415 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -93.75 149.11 21.5 Favored 'General case' 0 C--N 1.34 0.157 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 428' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 45.4 t -62.01 130.55 92.78 Favored Pre-proline 0 N--CA 1.448 -0.529 0 C-N-CA 122.703 0.401 . . . . 0.0 110.12 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -74.38 -13.14 22.98 Favored 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 123.669 2.912 . . . . 0.0 111.637 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -71.94 125.19 91.63 Favored Pre-proline 0 N--CA 1.454 -0.235 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -67.89 -17.73 46.75 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.891 2.394 . . . . 0.0 110.866 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.0 p -90.87 0.35 57.51 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 176.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 433' ' ' CYS . . . . . 0.481 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 42.5 t -119.67 -68.51 0.91 Allowed 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 122.982 0.513 . . . . 0.0 110.629 -176.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 52.36 17.5 0.76 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.015 0.926 . . . . 0.0 112.757 -178.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -68.23 145.33 54.38 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 177.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 9.9 tpt -86.04 127.44 34.66 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 176.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -114.46 145.22 42.16 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.151 0.501 . . . . 0.0 110.758 -176.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -70.75 158.74 35.78 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -179.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 32.9 t -62.28 -30.52 71.19 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.045 0.538 . . . . 0.0 112.154 -173.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -82.08 -9.6 59.49 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 112.837 0.681 . . . . 0.0 112.837 -177.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -80.14 148.19 31.04 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-N 117.86 0.3 . . . . 0.0 110.56 175.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 442' ' ' ASN . . . . . 0.505 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 90.6 m-20 -115.73 -6.92 12.13 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.575 174.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 31.5 mp0 -136.04 157.84 45.86 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.487 0.715 . . . . 0.0 109.547 177.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 444' ' ' CYS . . . . . 0.481 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 52.2 t -63.02 146.97 52.03 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 122.783 0.433 . . . . 0.0 110.014 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -87.06 3.65 45.23 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.117 -176.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -136.84 -33.81 0.76 Allowed 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -171.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 447' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 28.5 p -128.28 5.21 5.77 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -178.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm 57.98 16.43 3.73 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.851 0.86 . . . . 0.0 113.081 176.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.62 140.84 97.63 Favored Pre-proline 0 CA--C 1.533 0.325 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 176.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -70.12 147.99 61.78 Favored 'Trans proline' 0 N--CA 1.448 -1.152 0 C-N-CA 123.213 2.609 . . . . 0.0 110.819 -176.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 451' ' ' LYS . . . . . 0.505 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 19.4 ttmt -68.55 -56.48 9.94 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-O 119.061 -0.495 . . . . 0.0 110.477 174.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 N--CA 1.455 -0.789 0 C-N-CA 122.905 2.404 . . . . 0.0 110.971 172.676 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 426' ' ' TRP . . . . . 0.428 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 57.0 p-90 . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 120.818 0.342 . . . . 0.0 111.339 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -88.03 148.42 24.52 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 428' ' ' CYS . . . . . 0.473 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 49.1 t -62.73 130.06 93.44 Favored Pre-proline 0 N--CA 1.447 -0.577 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.65 -13.86 24.64 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 123.229 2.619 . . . . 0.0 111.552 -178.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -72.24 124.75 91.25 Favored Pre-proline 0 CA--C 1.534 0.336 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -68.44 -17.41 43.88 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 122.806 2.337 . . . . 0.0 110.59 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.5 p -91.39 0.72 57.47 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 176.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 433' ' ' CYS . . . . . 0.503 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 42.4 t -119.41 -68.95 0.88 Allowed 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.184 0.593 . . . . 0.0 110.681 -176.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 53.08 17.99 1.05 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.869 0.868 . . . . 0.0 113.031 -177.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -65.66 140.3 58.47 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 9.6 tpt -86.08 105.85 16.8 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -90.57 147.89 23.04 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.818 0.342 . . . . 0.0 111.483 -175.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -69.39 156.49 38.74 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 178.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 91.7 p -62.29 -29.13 70.21 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -173.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 55.8 p-90 -84.64 -9.0 58.67 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -175.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -80.03 149.31 30.76 Favored 'General case' 0 N--CA 1.457 -0.089 0 O-C-N 122.296 -0.253 . . . . 0.0 110.566 175.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 442' ' ' ASN . . . . . 0.475 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 88.2 m-20 -114.71 -7.43 12.7 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 123.242 0.339 . . . . 0.0 110.619 174.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 30.2 mp0 -136.91 157.6 46.37 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.594 0.758 . . . . 0.0 110.025 178.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 444' ' ' CYS . . . . . 0.503 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 50.3 t -64.35 147.16 53.16 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 122.834 0.453 . . . . 0.0 110.367 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -84.46 -1.32 55.49 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.209 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -134.26 -33.63 1.0 Allowed 'General case' 0 C--N 1.339 0.12 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -172.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 447' ' ' CYS . . . . . 0.473 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 27.9 p -124.69 2.42 8.22 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 96.4 mttt 58.06 17.6 4.57 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.906 0.883 . . . . 0.0 112.801 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.7 140.16 97.96 Favored Pre-proline 0 N--CA 1.453 -0.294 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 175.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.29 148.78 62.4 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 122.94 2.427 . . . . 0.0 110.806 -176.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 451' ' ' LYS . . . . . 0.475 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.0 ttmt -67.86 -55.84 12.89 Favored Pre-proline 0 CA--C 1.539 0.525 0 CA-C-O 119.038 -0.506 . . . . 0.0 110.469 174.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo . . . . . 0 N--CA 1.452 -0.924 0 C-N-CA 122.665 2.244 . . . . 0.0 110.623 172.659 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 426' ' ' TRP . . . . . 0.435 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 61.9 p-90 . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.642 0.258 . . . . 0.0 110.732 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -96.47 147.12 24.17 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.303 -177.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 428' ' ' CYS . . . . . 0.467 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 49.8 t -61.92 129.63 91.92 Favored Pre-proline 0 N--CA 1.447 -0.598 0 C-N-CA 122.697 0.399 . . . . 0.0 110.051 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.52 -13.66 22.52 Favored 'Trans proline' 0 N--CA 1.451 -0.982 0 C-N-CA 123.441 2.76 . . . . 0.0 111.594 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -71.06 124.6 91.28 Favored Pre-proline 0 N--CA 1.452 -0.364 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.41 -17.38 44.04 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 122.55 2.166 . . . . 0.0 110.79 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.7 p -90.53 -0.45 57.67 Favored 'General case' 0 CA--C 1.527 0.066 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 175.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 433' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 42.1 t -118.91 -68.67 0.9 Allowed 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.822 0.449 . . . . 0.0 110.466 -176.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 52.5 17.61 0.81 Allowed 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.84 0.856 . . . . 0.0 112.825 -177.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -68.04 145.57 54.34 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.5 tpt -85.8 138.4 32.1 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 176.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -124.08 145.58 49.16 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.694 0.283 . . . . 0.0 110.872 -175.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -68.89 159.16 33.12 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 42.8 t -62.62 -31.4 72.24 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -172.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 52.4 p-90 -81.75 -11.84 58.84 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -176.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -76.38 145.89 39.1 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-N 117.938 0.335 . . . . 0.0 110.484 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 442' ' ' ASN . . . . . 0.443 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 90.2 m-20 -112.32 -5.72 14.12 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 122.784 0.434 . . . . 0.0 110.554 174.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -141.47 160.06 40.93 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.89 0.476 . . . . 0.0 110.007 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 444' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 42.1 t -65.3 151.49 46.08 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 123.146 0.578 . . . . 0.0 110.298 -178.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -92.22 4.64 52.83 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.278 -177.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -136.11 -33.84 0.82 Allowed 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -173.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 447' ' ' CYS . . . . . 0.467 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 27.5 p -128.13 4.03 5.83 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -178.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 58.34 15.07 3.21 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.844 0.858 . . . . 0.0 112.892 176.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.35 140.77 97.86 Favored Pre-proline 0 N--CA 1.455 -0.224 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 177.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.64 150.09 68.47 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.077 2.518 . . . . 0.0 110.898 -176.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 451' ' ' LYS . . . . . 0.443 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.8 ttmt -66.3 -55.43 20.13 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-O 119.163 -0.446 . . . . 0.0 110.471 173.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo . . . . . 0 N--CA 1.451 -0.99 0 C-N-CA 122.705 2.27 . . . . 0.0 110.656 171.35 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 426' ' ' TRP . . . . . 0.421 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 60.2 p-90 . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.554 0.216 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -90.53 148.43 22.72 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 428' ' ' CYS . . . . . 0.462 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 49.6 t -63.18 129.8 93.72 Favored Pre-proline 0 N--CA 1.452 -0.33 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.4 -14.38 25.23 Favored 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 123.436 2.757 . . . . 0.0 111.391 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -71.07 124.86 91.71 Favored Pre-proline 0 CA--C 1.532 0.261 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.92 -18.11 46.63 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 122.698 2.265 . . . . 0.0 110.726 178.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.1 p -90.28 0.19 57.34 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 176.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 433' ' ' CYS . . . . . 0.48 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 42.4 t -118.64 -69.38 0.85 Allowed 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.025 0.53 . . . . 0.0 110.294 -176.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 53.96 16.05 1.01 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.025 0.93 . . . . 0.0 112.489 -178.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -69.15 145.76 53.03 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 9.8 tpt -85.26 132.79 34.21 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 176.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -117.33 145.3 44.11 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.067 0.46 . . . . 0.0 110.643 -177.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -68.18 155.76 38.96 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -178.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 89.2 p -62.02 -26.54 68.3 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.099 0.56 . . . . 0.0 112.431 -173.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 57.8 p-90 -87.12 -8.6 56.84 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -176.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -81.11 151.59 28.22 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 117.729 0.24 . . . . 0.0 110.51 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 442' ' ' ASN . . . . . 0.475 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 90.7 m-20 -116.16 -4.96 11.9 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.768 0.427 . . . . 0.0 110.535 174.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -141.56 159.4 42.29 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.254 0.622 . . . . 0.0 109.736 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 444' ' ' CYS . . . . . 0.48 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 45.8 t -63.91 149.01 48.11 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 122.882 0.473 . . . . 0.0 110.384 -177.252 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -89.45 3.71 51.46 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.106 -176.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -136.9 -32.49 0.8 Allowed 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -172.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 447' ' ' CYS . . . . . 0.462 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 28.0 p -129.75 3.31 4.95 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 96.1 mttt 57.64 18.12 4.5 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.903 0.881 . . . . 0.0 112.927 176.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.58 140.65 97.59 Favored Pre-proline 0 CA--C 1.531 0.212 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 175.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.9 148.05 63.35 Favored 'Trans proline' 0 N--CA 1.45 -1.036 0 C-N-CA 122.985 2.457 . . . . 0.0 111.259 -176.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 451' ' ' LYS . . . . . 0.475 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 19.1 ttmt -68.18 -55.9 11.92 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-O 119.097 -0.478 . . . . 0.0 110.64 174.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 N--CA 1.451 -1.027 0 C-N-CA 122.814 2.342 . . . . 0.0 110.685 172.515 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 426' ' ' TRP . . . . . 0.43 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 57.9 p-90 . . . . . 0 N--CA 1.455 -0.182 0 CA-C-O 120.737 0.304 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -93.07 147.13 23.11 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -178.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 428' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 49.2 t -59.62 131.13 88.38 Favored Pre-proline 0 N--CA 1.449 -0.492 0 C-N-CA 122.875 0.47 . . . . 0.0 110.351 179.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.44 -13.27 27.7 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.46 2.773 . . . . 0.0 111.531 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -72.16 125.06 91.59 Favored Pre-proline 0 CA--C 1.531 0.231 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -67.58 -16.83 47.8 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.754 2.303 . . . . 0.0 110.755 177.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.8 p -91.34 1.32 57.2 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 176.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 433' ' ' CYS . . . . . 0.51 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 42.5 t -120.13 -68.98 0.87 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.109 0.564 . . . . 0.0 110.416 -176.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 52.32 21.31 1.65 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.879 0.872 . . . . 0.0 112.666 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -71.19 138.08 49.24 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.984 -0.448 . . . . 0.0 110.06 178.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 2.6 tpt -80.39 100.59 8.54 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 176.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -86.63 147.46 25.9 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.867 0.365 . . . . 0.0 111.216 -177.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 13.6 m-30 -67.84 157.17 35.45 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 177.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 29.9 t -62.86 -33.12 74.6 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 123.099 0.56 . . . . 0.0 112.378 -173.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 58.2 p-90 -79.72 -10.85 59.85 Favored 'General case' 0 C--O 1.23 0.038 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -176.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -78.71 144.27 35.44 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-N 117.96 0.345 . . . . 0.0 110.23 176.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 442' ' ' ASN . . . . . 0.478 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 91.2 m-20 -110.73 -4.85 15.14 Favored 'General case' 0 C--O 1.23 0.064 0 C-N-CA 122.54 0.336 . . . . 0.0 110.458 174.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -140.87 159.3 42.51 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.186 0.594 . . . . 0.0 109.609 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 444' ' ' CYS . . . . . 0.51 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 42.2 t -64.32 149.13 48.78 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.454 -176.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -89.49 3.38 52.59 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.885 -177.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -135.71 -33.45 0.86 Allowed 'General case' 0 CA--C 1.528 0.111 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -172.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 447' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 25.8 p -131.07 6.34 4.57 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -177.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp 57.68 16.22 3.34 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.09 0.956 . . . . 0.0 113.057 176.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.83 140.2 97.16 Favored Pre-proline 0 CA--C 1.531 0.234 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 176.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.72 149.19 66.84 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 122.992 2.461 . . . . 0.0 110.981 -176.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 451' ' ' LYS . . . . . 0.478 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 21.1 ttmt -67.37 -56.36 12.91 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-O 119.15 -0.452 . . . . 0.0 110.195 174.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo . . . . . 0 N--CA 1.451 -1.019 0 C-N-CA 122.686 2.257 . . . . 0.0 110.45 172.346 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 426' ' ' TRP . . . . . 0.433 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 63.4 p-90 . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.798 0.332 . . . . 0.0 110.608 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -89.46 146.08 24.87 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 428' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 43.9 t -60.29 131.4 90.09 Favored Pre-proline 0 N--CA 1.447 -0.582 0 C-N-CA 122.839 0.455 . . . . 0.0 110.26 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -72.72 -13.21 26.97 Favored 'Trans proline' 0 N--CA 1.451 -1.027 0 C-N-CA 123.605 2.87 . . . . 0.0 111.716 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -71.87 125.17 91.66 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.52 -18.25 48.91 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 122.672 2.248 . . . . 0.0 110.714 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.1 p -90.32 0.76 57.1 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 176.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 433' ' ' CYS . . . . . 0.504 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 42.7 t -118.5 -69.09 0.87 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.403 0.681 . . . . 0.0 110.47 -176.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 51.92 21.06 1.36 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.858 0.863 . . . . 0.0 112.793 -178.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -71.71 140.72 49.71 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 122.037 -0.415 . . . . 0.0 110.023 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -82.63 99.7 9.74 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 176.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -85.09 148.01 26.36 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.917 0.389 . . . . 0.0 110.57 -178.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -68.86 156.06 39.13 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 91.1 p -61.76 -26.91 68.37 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -172.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 57.0 p-90 -86.96 -9.64 55.14 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -176.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -79.69 147.07 32.1 Favored 'General case' 0 C--N 1.338 0.073 0 CA-C-N 117.81 0.277 . . . . 0.0 110.389 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 442' ' ' ASN . . . . . 0.481 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 89.3 m-20 -111.92 -5.08 14.38 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 122.762 0.425 . . . . 0.0 110.7 173.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -140.08 158.43 44.06 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.309 0.644 . . . . 0.0 109.574 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 444' ' ' CYS . . . . . 0.504 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 48.7 t -64.67 149.55 48.84 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 122.796 0.438 . . . . 0.0 110.676 -176.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -92.49 7.49 42.9 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.196 -176.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -137.81 -33.59 0.71 Allowed 'General case' 0 C--N 1.339 0.146 0 O-C-N 122.394 -0.191 . . . . 0.0 111.491 -174.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 447' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 25.7 p -131.29 4.38 4.36 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 122.738 0.415 . . . . 0.0 111.872 -178.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 67.6 mttm 57.46 17.51 3.9 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.941 0.897 . . . . 0.0 113.349 175.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.79 142.29 98.08 Favored Pre-proline 0 N--CA 1.453 -0.284 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 175.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.25 147.73 60.32 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.082 2.522 . . . . 0.0 111.231 -176.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 451' ' ' LYS . . . . . 0.481 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 19.8 ttmt -66.92 -57.07 12.13 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-O 118.91 -0.567 . . . . 0.0 110.495 175.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo . . . . . 0 N--CA 1.452 -0.952 0 C-N-CA 122.799 2.333 . . . . 0.0 110.528 173.327 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 426' ' ' TRP . . . . . 0.432 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 67.0 p-90 . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 120.29 0.09 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -86.61 144.85 26.98 Favored 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 428' ' ' CYS . . . . . 0.49 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 48.5 t -62.25 130.75 93.28 Favored Pre-proline 0 N--CA 1.448 -0.557 0 C-N-CA 123.123 0.569 . . . . 0.0 109.776 178.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.81 -13.11 26.74 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.816 3.011 . . . . 0.0 111.783 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -72.11 125.2 91.56 Favored Pre-proline 0 CA--C 1.535 0.376 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.51 -17.21 48.6 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.717 2.278 . . . . 0.0 110.66 177.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.6 p -91.47 0.52 57.5 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 176.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 433' ' ' CYS . . . . . 0.51 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 43.9 t -119.84 -68.27 0.92 Allowed 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.958 0.503 . . . . 0.0 110.374 -176.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 52.53 15.72 0.54 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.249 1.019 . . . . 0.0 112.966 -178.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -70.41 142.39 52.05 Favored 'General case' 0 N--CA 1.456 -0.136 0 O-C-N 122.039 -0.413 . . . . 0.0 110.202 177.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 7.1 ttm -83.97 136.73 33.95 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 173.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -119.82 146.95 45.23 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.239 0.616 . . . . 0.0 110.23 -174.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -62.11 153.83 28.85 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 94.2 p -62.32 -26.62 68.53 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 122.986 0.514 . . . . 0.0 112.066 -171.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -87.97 -10.0 51.79 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -176.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -75.46 143.98 42.34 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 117.975 0.352 . . . . 0.0 110.233 176.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 442' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -108.43 -6.11 16.34 Favored 'General case' 0 C--N 1.334 -0.103 0 C-N-CA 122.537 0.335 . . . . 0.0 110.382 175.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -141.26 159.37 42.37 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 122.973 0.509 . . . . 0.0 110.556 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 444' ' ' CYS . . . . . 0.51 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 52.4 t -64.7 145.78 55.7 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.018 0.527 . . . . 0.0 110.499 -177.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -80.44 -1.25 40.71 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.035 0.534 . . . . 0.0 111.044 -177.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -134.67 -41.14 0.78 Allowed 'General case' 0 C--N 1.34 0.185 0 CA-C-N 118.241 0.473 . . . . 0.0 111.809 -172.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 447' ' ' CYS . . . . . 0.49 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 27.5 p -115.63 1.12 13.47 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.337 0.255 . . . . 0.0 111.598 -178.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm 57.83 18.69 5.1 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.875 0.87 . . . . 0.0 112.788 175.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -66.71 143.03 97.89 Favored Pre-proline 0 CA--C 1.532 0.273 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 175.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.58 148.66 66.74 Favored 'Trans proline' 0 N--CA 1.45 -1.054 0 C-N-CA 122.93 2.42 . . . . 0.0 111.16 -176.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 451' ' ' LYS . . . . . 0.432 ' HB2' ' CZ2' ' B' ' 426' ' ' TRP . 19.7 ttmt -67.0 -55.49 16.11 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-O 119.323 -0.37 . . . . 0.0 110.427 174.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 N--CA 1.453 -0.869 0 C-N-CA 122.596 2.198 . . . . 0.0 110.676 172.191 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 426' ' ' TRP . . . . . 0.437 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 59.0 p-90 . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.926 0.393 . . . . 0.0 110.708 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -87.53 146.08 25.95 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 428' ' ' CYS . . . . . 0.485 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 38.9 t -59.56 131.51 88.32 Favored Pre-proline 0 N--CA 1.45 -0.457 0 C-N-CA 122.674 0.39 . . . . 0.0 110.271 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.1 -14.62 28.97 Favored 'Trans proline' 0 N--CA 1.45 -1.041 0 C-N-CA 123.469 2.779 . . . . 0.0 111.376 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -71.0 125.04 91.98 Favored Pre-proline 0 N--CA 1.452 -0.333 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -67.09 -17.19 50.67 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 122.745 2.297 . . . . 0.0 110.947 178.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.3 p -90.99 -2.12 57.74 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 176.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 433' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 42.6 t -115.87 -67.4 1.0 Allowed 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.607 0.363 . . . . 0.0 110.7 -175.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 51.75 20.54 1.16 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.033 0.933 . . . . 0.0 113.028 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -72.0 143.3 49.23 Favored 'General case' 0 N--CA 1.455 -0.188 0 O-C-N 121.973 -0.454 . . . . 0.0 110.502 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -82.94 100.2 10.27 Favored 'General case' 0 C--O 1.23 0.078 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 175.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -85.08 147.2 26.77 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 122.44 0.296 . . . . 0.0 110.382 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -70.7 158.91 35.43 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 42.1 t -62.49 -28.12 69.61 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 122.967 0.507 . . . . 0.0 112.299 -173.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 -85.74 -8.72 57.99 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -177.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 89.9 mtt-85 -80.45 150.72 29.62 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 117.908 0.322 . . . . 0.0 110.605 175.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 442' ' ' ASN . . . . . 0.489 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 88.6 m-20 -117.5 -7.29 11.13 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 122.715 0.406 . . . . 0.0 110.308 173.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 29.6 mp0 -135.71 158.06 45.32 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.577 0.751 . . . . 0.0 109.679 177.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 444' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 51.7 t -65.73 147.5 53.28 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 120.986 0.422 . . . . 0.0 110.356 -177.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -84.85 -2.48 57.83 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.032 -177.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -134.06 -30.78 1.18 Allowed 'General case' 0 C--O 1.233 0.195 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -171.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 447' ' ' CYS . . . . . 0.485 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 26.8 p -129.06 3.19 5.26 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.477 0.311 . . . . 0.0 111.754 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 61.7 mttp 58.12 17.6 4.64 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 124.129 0.971 . . . . 0.0 113.057 175.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -66.5 141.82 97.31 Favored Pre-proline 0 N--CA 1.452 -0.342 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 175.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.76 149.85 67.47 Favored 'Trans proline' 0 N--CA 1.45 -1.042 0 C-N-CA 123.126 2.55 . . . . 0.0 110.899 -177.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 451' ' ' LYS . . . . . 0.489 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 19.5 ttmt -68.36 -56.76 9.84 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-O 119.202 -0.428 . . . . 0.0 110.348 174.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo . . . . . 0 N--CA 1.453 -0.853 0 C-N-CA 122.75 2.3 . . . . 0.0 110.607 173.177 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 426' ' ' TRP . . . . . 0.428 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 55.9 p-90 . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.668 0.271 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -93.89 149.23 21.41 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 428' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 47.8 t -62.2 130.13 92.73 Favored Pre-proline 0 N--CA 1.452 -0.343 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -73.92 -13.89 23.96 Favored 'Trans proline' 0 N--CA 1.451 -0.982 0 C-N-CA 123.656 2.904 . . . . 0.0 111.737 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -71.27 124.98 91.86 Favored Pre-proline 0 CA--C 1.533 0.322 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -67.76 -17.08 47.3 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 122.619 2.213 . . . . 0.0 110.593 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 1.5 p -92.54 6.43 47.24 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 176.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 433' ' ' CYS . . . . . 0.479 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 45.6 t -126.04 -68.87 0.8 Allowed 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.894 0.477 . . . . 0.0 110.487 -177.081 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 53.61 15.78 0.83 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.022 0.929 . . . . 0.0 112.675 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -67.48 145.7 54.71 Favored 'General case' 0 N--CA 1.457 -0.096 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.3 tpt -85.28 132.43 34.26 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 176.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -118.91 145.62 45.59 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.899 0.38 . . . . 0.0 110.96 -176.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -71.77 158.96 35.16 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 38.5 t -62.36 -31.25 71.87 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.969 0.507 . . . . 0.0 112.109 -173.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 54.2 p-90 -82.12 -10.02 59.33 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -177.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -79.5 148.67 31.74 Favored 'General case' 0 C--N 1.34 0.166 0 CA-C-N 117.828 0.285 . . . . 0.0 110.443 176.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 442' ' ' ASN . . . . . 0.411 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 91.1 m-20 -114.25 -5.17 12.99 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.002 0.521 . . . . 0.0 110.291 173.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -140.51 160.09 40.76 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.262 0.625 . . . . 0.0 110.105 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 444' ' ' CYS . . . . . 0.479 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 50.8 t -64.42 148.35 50.68 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.268 -179.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -88.03 4.28 45.73 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.736 0.415 . . . . 0.0 109.961 -176.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -136.85 -32.42 0.81 Allowed 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -172.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 447' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 26.9 p -130.22 2.7 4.71 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.616 0.367 . . . . 0.0 111.737 -178.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp 57.03 18.72 4.17 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 177.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.67 139.48 97.77 Favored Pre-proline 0 N--CA 1.454 -0.227 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 174.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.35 148.17 67.14 Favored 'Trans proline' 0 N--CA 1.449 -1.12 0 C-N-CA 123.039 2.493 . . . . 0.0 111.051 -176.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 451' ' ' LYS . . . . . 0.428 ' HB2' ' CZ2' ' B' ' 426' ' ' TRP . 20.9 ttmt -67.08 -55.54 15.73 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-O 119.166 -0.445 . . . . 0.0 110.543 174.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo . . . . . 0 N--CA 1.455 -0.793 0 C-N-CA 122.926 2.418 . . . . 0.0 110.805 171.427 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 426' ' ' TRP . . . . . 0.426 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 53.2 p-90 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.881 0.372 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -93.89 149.81 20.91 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 428' ' ' CYS . . . . . 0.455 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 49.7 t -61.55 130.35 91.96 Favored Pre-proline 0 N--CA 1.452 -0.36 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -73.89 -13.78 24.07 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 123.496 2.798 . . . . 0.0 111.631 -179.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -72.36 125.74 91.26 Favored Pre-proline 0 CA--C 1.532 0.271 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -68.34 -18.45 44.3 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 122.821 2.347 . . . . 0.0 110.548 178.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 1.9 p -89.45 0.27 56.98 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 175.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 433' ' ' CYS . . . . . 0.489 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 42.3 t -119.8 -71.61 0.73 Allowed 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.09 0.556 . . . . 0.0 110.618 -176.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 54.38 17.97 1.74 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.847 0.859 . . . . 0.0 112.744 -177.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -68.61 149.59 48.98 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 176.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.4 tpt -90.73 127.44 36.32 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -115.4 145.75 42.25 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.129 0.49 . . . . 0.0 110.777 -175.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -71.05 159.27 35.04 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 178.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 40.7 t -63.29 -30.4 71.54 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -174.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 57.1 p-90 -80.07 -11.65 59.75 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -177.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -78.37 147.1 34.26 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 117.94 0.336 . . . . 0.0 110.362 174.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 442' ' ' ASN . . . . . 0.408 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 91.0 m-20 -113.22 -5.95 13.63 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 122.668 0.387 . . . . 0.0 110.61 174.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -141.66 159.31 42.48 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.234 0.614 . . . . 0.0 110.164 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 444' ' ' CYS . . . . . 0.489 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 47.6 t -64.17 152.25 41.17 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 123.26 0.624 . . . . 0.0 110.802 -177.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -92.21 3.54 55.13 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 122.885 0.474 . . . . 0.0 109.914 -176.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -135.62 -32.81 0.89 Allowed 'General case' 0 C--O 1.233 0.202 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -172.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 447' ' ' CYS . . . . . 0.455 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 26.4 p -130.59 3.43 4.58 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.601 0.36 . . . . 0.0 111.741 -177.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 96.6 mttt 56.49 18.35 3.48 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.9 0.88 . . . . 0.0 113.186 176.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.91 139.94 97.94 Favored Pre-proline 0 N--CA 1.454 -0.238 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.96 147.42 61.55 Favored 'Trans proline' 0 N--CA 1.449 -1.119 0 C-N-CA 122.95 2.434 . . . . 0.0 111.091 -176.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 451' ' ' LYS . . . . . 0.426 ' HE2' ' NE1' ' B' ' 426' ' ' TRP . 20.7 ttmt -65.89 -56.44 17.54 Favored Pre-proline 0 CA--C 1.535 0.382 0 CA-C-O 119.258 -0.401 . . . . 0.0 110.352 174.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo . . . . . 0 N--CA 1.449 -1.137 0 C-N-CA 122.85 2.366 . . . . 0.0 110.775 172.21 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 426' ' ' TRP . . . . . 0.439 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 61.6 p-90 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -89.4 146.6 24.56 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 428' ' ' CYS . . . . . 0.469 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 48.6 t -61.04 131.03 91.77 Favored Pre-proline 0 N--CA 1.45 -0.472 0 C-N-CA 122.949 0.5 . . . . 0.0 109.922 178.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -73.07 -13.52 26.09 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.479 2.786 . . . . 0.0 111.226 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -71.02 124.6 91.29 Favored Pre-proline 0 CA--C 1.531 0.227 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -67.66 -17.31 47.85 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 122.56 2.174 . . . . 0.0 110.637 178.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.4 p -90.24 1.0 56.95 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 176.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 433' ' ' CYS . . . . . 0.519 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 46.9 t -120.41 -68.65 0.89 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 122.926 0.491 . . . . 0.0 110.599 -176.032 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 52.47 21.46 1.77 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.854 0.862 . . . . 0.0 112.61 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -71.55 142.16 50.08 Favored 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 122.131 -0.355 . . . . 0.0 110.632 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -83.58 100.44 10.81 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.308 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -85.63 147.74 26.24 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 122.617 0.367 . . . . 0.0 110.61 -179.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -69.81 159.54 33.41 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 46.5 t -62.1 -31.97 72.48 Favored 'General case' 0 CA--C 1.527 0.089 0 C-N-CA 123.173 0.589 . . . . 0.0 112.107 -173.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 53.1 p-90 -81.71 -11.41 59.06 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -176.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -77.71 146.25 36.1 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 117.946 0.339 . . . . 0.0 110.749 176.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 442' ' ' ASN . . . . . 0.432 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 88.8 m-20 -112.12 -6.3 14.16 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 122.828 0.451 . . . . 0.0 110.319 174.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -139.98 159.26 42.58 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.212 0.605 . . . . 0.0 109.907 178.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 444' ' ' CYS . . . . . 0.519 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 50.2 t -64.53 145.33 56.3 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.019 0.438 . . . . 0.0 110.575 -178.087 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -80.95 -1.81 45.18 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.928 -177.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -133.99 -31.32 1.15 Allowed 'General case' 0 C--O 1.233 0.2 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -171.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 447' ' ' CYS . . . . . 0.469 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 24.9 p -129.88 4.27 4.94 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp 56.32 18.58 3.46 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 176.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.5 139.55 97.76 Favored Pre-proline 0 N--CA 1.454 -0.264 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 174.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.57 146.69 62.18 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.786 2.324 . . . . 0.0 111.137 -175.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 451' ' ' LYS . . . . . 0.439 ' HB2' ' CZ2' ' B' ' 426' ' ' TRP . 20.0 ttmt -66.63 -55.45 18.26 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.282 174.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 452' ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 49.2 Cg_endo . . . . . 0 N--CA 1.45 -1.04 0 C-N-CA 122.823 2.349 . . . . 0.0 110.689 171.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 426' ' ' TRP . . . . . 0.427 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 58.5 p-90 . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 120.822 0.344 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -95.63 148.5 22.47 Favored 'General case' 0 C--N 1.338 0.091 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.082 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 428' ' ' CYS . . . . . 0.455 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 49.4 t -61.75 129.79 91.8 Favored Pre-proline 0 N--CA 1.449 -0.501 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.19 -13.46 23.37 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 123.622 2.881 . . . . 0.0 111.482 -178.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -71.95 125.02 91.67 Favored Pre-proline 0 N--CA 1.454 -0.265 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -179.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.69 -19.35 41.72 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 122.941 2.427 . . . . 0.0 110.54 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.3 p -89.29 0.44 56.8 Favored 'General case' 0 C--N 1.339 0.116 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 176.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 433' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 42.3 t -118.24 -68.77 0.89 Allowed 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 122.952 0.501 . . . . 0.0 110.543 -177.04 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 53.06 17.12 0.86 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.208 1.003 . . . . 0.0 112.799 -177.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -68.34 144.42 54.8 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 177.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.9 tpt -84.55 135.3 34.27 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 175.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -121.05 144.92 48.29 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 121.052 0.453 . . . . 0.0 110.88 -176.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -67.88 155.86 38.45 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 90.1 p -62.24 -27.63 69.13 Favored 'General case' 0 C--O 1.231 0.093 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -172.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -86.33 -9.02 57.22 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -176.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -78.64 147.44 33.6 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 175.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 442' ' ' ASN . . . . . 0.456 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 90.2 m-20 -112.8 -4.98 13.92 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 122.751 0.421 . . . . 0.0 110.608 174.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -142.34 159.6 41.92 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.043 0.537 . . . . 0.0 110.089 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 444' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 43.3 t -64.44 148.53 50.33 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 122.878 0.471 . . . . 0.0 110.238 -177.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -89.51 5.04 47.23 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.196 -0.457 . . . . 0.0 109.935 -176.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -136.85 -33.36 0.78 Allowed 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -172.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 447' ' ' CYS . . . . . 0.455 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 27.8 p -129.39 3.93 5.14 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -178.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp 58.6 15.71 3.82 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.911 0.884 . . . . 0.0 112.693 176.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.99 140.95 98.26 Favored Pre-proline 0 CA--C 1.531 0.212 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 176.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.72 149.23 66.9 Favored 'Trans proline' 0 N--CA 1.449 -1.092 0 C-N-CA 123.106 2.537 . . . . 0.0 110.971 -176.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 451' ' ' LYS . . . . . 0.456 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.4 ttmt -67.33 -55.46 15.25 Favored Pre-proline 0 CA--C 1.535 0.393 0 C-N-CA 122.639 0.376 . . . . 0.0 110.295 173.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 C-N-CA 122.978 2.452 . . . . 0.0 110.539 171.132 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 426' ' ' TRP . . . . . 0.438 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 60.2 p-90 . . . . . 0 N--CA 1.455 -0.214 0 CA-C-O 120.613 0.244 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -88.24 148.89 24.13 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 428' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 36.4 t -63.45 130.8 94.54 Favored Pre-proline 0 N--CA 1.449 -0.502 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 178.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.9 -12.87 24.08 Favored 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 123.322 2.681 . . . . 0.0 111.805 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -71.6 125.5 91.73 Favored Pre-proline 0 CA--C 1.532 0.285 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -69.0 -19.23 40.02 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 122.729 2.286 . . . . 0.0 111.212 -178.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.6 p -89.92 -7.15 54.82 Favored 'General case' 0 C--N 1.338 0.104 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 176.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 433' ' ' CYS . . . . . 0.477 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 41.9 t -106.8 -69.98 0.81 Allowed 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.03 0.532 . . . . 0.0 110.304 -176.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 53.01 17.55 0.93 Allowed 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.879 0.871 . . . . 0.0 112.768 -177.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -67.08 144.51 56.07 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 8.8 tpt -87.55 108.15 18.92 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -92.76 146.9 23.3 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.084 0.469 . . . . 0.0 110.996 -176.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -70.28 158.97 34.92 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 31.4 t -61.78 -32.98 73.29 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 123.046 0.538 . . . . 0.0 112.372 -173.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 53.3 p-90 -81.88 -9.39 59.61 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -175.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -80.08 151.77 29.7 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 117.915 0.325 . . . . 0.0 110.84 177.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 442' ' ' ASN . . . . . 0.475 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 91.3 m-20 -116.08 -6.8 11.93 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 122.869 0.468 . . . . 0.0 110.584 174.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -140.91 160.26 40.45 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.161 0.585 . . . . 0.0 109.746 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 444' ' ' CYS . . . . . 0.477 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 44.2 t -64.69 150.05 47.93 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 122.874 0.47 . . . . 0.0 110.756 -177.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -92.35 4.23 53.8 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.344 -177.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -135.6 -32.63 0.9 Allowed 'General case' 0 C--N 1.341 0.2 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -172.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 447' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 26.2 p -131.51 3.47 4.22 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.542 0.337 . . . . 0.0 111.674 -178.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm 57.99 17.69 4.58 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 124.075 0.95 . . . . 0.0 113.152 176.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.68 140.49 97.43 Favored Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 176.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.06 149.45 65.0 Favored 'Trans proline' 0 N--CA 1.45 -1.054 0 C-N-CA 123.014 2.476 . . . . 0.0 111.004 -176.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 451' ' ' LYS . . . . . 0.475 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.3 ttmt -68.92 -56.1 9.68 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-O 119.288 -0.387 . . . . 0.0 110.36 174.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 N--CA 1.452 -0.94 0 C-N-CA 122.92 2.413 . . . . 0.0 110.584 171.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 426' ' ' TRP . . . . . 0.432 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 63.7 p-90 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.754 0.311 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -87.77 145.51 26.08 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -178.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 428' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 49.8 t -60.19 131.99 90.03 Favored Pre-proline 0 N--CA 1.449 -0.519 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 178.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.26 -14.06 25.6 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.429 2.753 . . . . 0.0 111.625 -178.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -70.79 124.92 91.8 Favored Pre-proline 0 CA--C 1.532 0.253 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.01 -16.35 49.25 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 122.623 2.215 . . . . 0.0 110.401 176.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 1.6 p -93.39 8.25 41.26 Favored 'General case' 0 C--O 1.231 0.08 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 176.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 433' ' ' CYS . . . . . 0.527 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 46.3 t -127.99 -68.77 0.76 Allowed 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 122.959 0.503 . . . . 0.0 110.49 -177.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 52.39 20.03 1.31 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.181 0.992 . . . . 0.0 112.723 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -70.41 139.1 51.76 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 122.147 -0.346 . . . . 0.0 110.334 178.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.66 100.05 8.48 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 176.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -83.88 148.41 26.98 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.882 0.372 . . . . 0.0 110.928 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -68.76 157.33 36.6 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 43.1 t -62.34 -32.72 73.53 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -173.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -80.08 -11.43 59.76 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -176.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -78.43 146.94 34.22 Favored 'General case' 0 C--N 1.341 0.208 0 O-C-N 122.006 -0.434 . . . . 0.0 110.64 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 442' ' ' ASN . . . . . 0.459 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 89.8 m-20 -111.87 -5.57 14.36 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 122.715 0.406 . . . . 0.0 110.512 174.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -141.81 159.89 41.3 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.245 0.618 . . . . 0.0 109.84 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 444' ' ' CYS . . . . . 0.527 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 51.5 t -65.25 147.65 53.07 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.58 -176.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -83.8 -1.64 54.7 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.975 -177.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -134.52 -35.93 0.88 Allowed 'General case' 0 CA--C 1.527 0.095 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -171.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 447' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 26.4 p -122.94 2.72 9.39 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.535 0.334 . . . . 0.0 111.769 -179.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm 57.66 17.5 4.1 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.903 0.881 . . . . 0.0 113.21 175.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -66.27 141.83 97.5 Favored Pre-proline 0 CA--C 1.533 0.314 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 150.43 67.9 Favored 'Trans proline' 0 N--CA 1.449 -1.09 0 C-N-CA 123.116 2.544 . . . . 0.0 111.043 -175.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 451' ' ' LYS . . . . . 0.459 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 21.4 ttmt -67.78 -56.34 11.98 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-O 119.135 -0.46 . . . . 0.0 110.208 174.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo . . . . . 0 N--CA 1.455 -0.769 0 C-N-CA 122.719 2.279 . . . . 0.0 110.678 171.76 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 426' ' ' TRP . . . . . 0.43 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 55.0 p-90 . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.864 0.364 . . . . 0.0 111.413 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -93.12 149.71 21.03 Favored 'General case' 0 CA--C 1.526 0.034 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 428' ' ' CYS . . . . . 0.465 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 46.9 t -62.61 129.2 92.59 Favored Pre-proline 0 CA--C 1.535 0.392 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 179.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -74.05 -13.12 23.76 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 123.593 2.862 . . . . 0.0 111.615 -178.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -72.1 125.06 91.61 Favored Pre-proline 0 CA--C 1.533 0.295 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.21 -17.56 45.09 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.768 2.312 . . . . 0.0 110.797 178.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.5 p -90.43 -0.07 57.5 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 176.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 433' ' ' CYS . . . . . 0.499 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 46.6 t -119.74 -68.26 0.92 Allowed 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.031 0.533 . . . . 0.0 110.352 -176.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 52.78 16.59 0.7 Allowed 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.088 0.955 . . . . 0.0 112.659 -178.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -68.79 145.36 53.85 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.5 tpt -85.23 133.89 34.16 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 177.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -120.43 144.87 47.72 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.745 0.307 . . . . 0.0 110.615 -176.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -71.69 158.1 36.76 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 94.4 p -61.25 -28.15 68.96 Favored 'General case' 0 C--O 1.231 0.082 0 C-N-CA 123.025 0.53 . . . . 0.0 112.4 -171.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 45.4 p-90 -86.6 -9.26 56.46 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -176.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -77.92 145.54 36.09 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 174.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 442' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -110.19 -6.84 14.96 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 122.699 0.4 . . . . 0.0 110.427 174.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -141.91 160.3 40.48 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.193 0.597 . . . . 0.0 110.156 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 444' ' ' CYS . . . . . 0.499 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 49.2 t -64.14 148.77 49.17 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.251 -178.394 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -84.52 -0.84 54.56 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.065 -177.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -136.07 -34.55 0.8 Allowed 'General case' 0 C--O 1.232 0.141 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -171.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 447' ' ' CYS . . . . . 0.465 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 28.9 p -123.4 3.08 9.11 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 122.63 0.372 . . . . 0.0 111.821 -179.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm 59.09 15.74 4.28 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.893 0.877 . . . . 0.0 112.977 175.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.92 139.92 97.94 Favored Pre-proline 0 CA--C 1.53 0.196 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.76 149.12 60.0 Favored 'Trans proline' 0 N--CA 1.451 -1.028 0 C-N-CA 122.733 2.288 . . . . 0.0 111.278 -176.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 451' ' ' LYS . . . . . 0.43 ' HE2' ' NE1' ' B' ' 426' ' ' TRP . 20.1 ttmt -67.76 -55.8 13.24 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-O 118.94 -0.552 . . . . 0.0 110.325 174.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo . . . . . 0 N--CA 1.455 -0.738 0 C-N-CA 122.723 2.282 . . . . 0.0 110.576 172.254 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 426' ' ' TRP . . . . . 0.433 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 57.2 p-90 . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 120.663 0.268 . . . . 0.0 110.779 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -93.73 147.45 23.03 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 428' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 49.5 t -60.21 131.49 89.93 Favored Pre-proline 0 N--CA 1.451 -0.423 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -73.7 -13.43 24.55 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 123.613 2.875 . . . . 0.0 111.564 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -70.88 124.85 91.69 Favored Pre-proline 0 CA--C 1.533 0.32 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.04 -17.33 51.03 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 122.718 2.279 . . . . 0.0 110.716 178.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.3 p -91.2 1.05 57.38 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 176.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 433' ' ' CYS . . . . . 0.51 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 44.1 t -120.06 -68.44 0.91 Allowed 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 122.871 0.468 . . . . 0.0 110.813 -176.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 51.69 21.56 1.39 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.921 0.888 . . . . 0.0 112.688 -178.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -70.2 141.35 52.55 Favored 'General case' 0 N--CA 1.455 -0.222 0 O-C-N 122.221 -0.299 . . . . 0.0 110.359 178.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 4.3 tpt -82.64 103.2 11.99 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 177.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -90.59 147.33 23.4 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.967 0.413 . . . . 0.0 110.771 -178.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -72.27 157.27 38.02 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 90.6 p -60.4 -26.96 67.07 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -173.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 52.4 p-90 -87.17 -7.47 57.93 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -175.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 90.1 mtt-85 -82.0 148.19 28.79 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 117.626 0.194 . . . . 0.0 110.516 175.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 442' ' ' ASN . . . . . 0.469 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 90.7 m-20 -113.76 -6.06 13.29 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.442 174.249 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -139.2 160.08 40.65 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.491 0.716 . . . . 0.0 109.783 178.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 444' ' ' CYS . . . . . 0.51 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 49.6 t -65.2 147.53 53.3 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 121.007 0.432 . . . . 0.0 110.087 -178.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -87.89 2.29 51.89 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.142 -176.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -135.17 -31.48 0.99 Allowed 'General case' 0 C--O 1.232 0.139 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -171.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 447' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 26.7 p -132.68 4.17 3.88 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 122.45 0.3 . . . . 0.0 111.773 -179.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp 56.66 17.79 3.31 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.09 140.29 97.86 Favored Pre-proline 0 N--CA 1.454 -0.247 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 174.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -69.47 149.58 68.89 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 123.104 2.536 . . . . 0.0 110.833 -175.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 451' ' ' LYS . . . . . 0.469 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.8 ttmt -67.99 -55.27 13.74 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-O 119.077 -0.487 . . . . 0.0 110.093 174.154 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 452' ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 51.1 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 C-N-CA 122.978 2.452 . . . . 0.0 110.949 171.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 426' ' ' TRP . . . . . 0.424 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 56.0 p-90 . . . . . 0 CA--C 1.524 -0.036 0 CA-C-O 120.862 0.363 . . . . 0.0 111.337 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -92.81 148.76 21.76 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 428' ' ' CYS . . . . . 0.484 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 49.3 t -61.32 129.8 91.19 Favored Pre-proline 0 N--CA 1.452 -0.348 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.96 -13.21 23.96 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 123.552 2.835 . . . . 0.0 111.628 -179.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -72.5 124.26 90.57 Favored Pre-proline 0 N--CA 1.455 -0.195 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.27 -18.3 50.31 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 122.574 2.183 . . . . 0.0 110.625 177.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.3 p -89.45 1.04 56.41 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 176.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 433' ' ' CYS . . . . . 0.492 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 46.5 t -121.71 -68.96 0.86 Allowed 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.007 0.523 . . . . 0.0 110.56 -176.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 52.8 17.13 0.79 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.27 1.028 . . . . 0.0 112.871 -178.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -68.11 145.94 53.93 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 177.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.3 tpt -85.68 128.47 34.79 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -115.82 144.73 43.6 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.882 0.372 . . . . 0.0 110.67 -176.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -71.5 157.8 37.38 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 29.6 t -61.65 -31.36 71.46 Favored 'General case' 0 C--O 1.231 0.1 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -173.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 50.9 p-90 -79.85 -9.06 59.62 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -177.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -80.93 151.18 28.68 Favored 'General case' 0 C--N 1.338 0.106 0 CA-C-N 118.107 0.412 . . . . 0.0 110.65 175.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 442' ' ' ASN . . . . . 0.491 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 89.2 m-20 -118.24 -7.58 10.73 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.71 0.404 . . . . 0.0 110.252 174.37 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 29.9 mp0 -136.64 157.83 45.85 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.592 0.757 . . . . 0.0 109.819 178.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 444' ' ' CYS . . . . . 0.492 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 44.8 t -64.54 147.76 52.16 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 122.829 0.452 . . . . 0.0 110.534 -179.309 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -81.51 -2.51 50.09 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 122.756 0.423 . . . . 0.0 111.407 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -134.48 -40.18 0.8 Allowed 'General case' 0 C--N 1.342 0.259 0 CA-C-N 118.1 0.409 . . . . 0.0 112.045 -172.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 447' ' ' CYS . . . . . 0.484 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 27.2 p -114.81 0.57 13.84 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.397 0.279 . . . . 0.0 111.5 -178.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 95.7 mttt 57.39 19.02 4.8 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.069 0.948 . . . . 0.0 112.678 177.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.34 140.41 97.76 Favored Pre-proline 0 N--CA 1.454 -0.246 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 175.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.1 149.1 64.27 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.037 2.491 . . . . 0.0 110.772 -176.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 451' ' ' LYS . . . . . 0.491 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.8 ttmt -67.51 -55.95 13.57 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-O 119.166 -0.445 . . . . 0.0 110.607 174.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 N--CA 1.451 -0.995 0 C-N-CA 123.062 2.508 . . . . 0.0 110.161 172.286 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.191 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.22 -13.43 28.31 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 124.11 3.207 . . . . 0.0 111.41 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 87.3 mt -72.49 162.45 29.45 Favored 'General case' 0 C--N 1.338 0.105 0 C-N-CA 122.624 0.37 . . . . 0.0 110.745 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -173.28 179.39 44.72 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 70.2 m -74.0 -3.27 28.23 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 122.881 0.472 . . . . 0.0 111.748 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . -71.38 151.58 48.54 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -146.85 170.39 17.15 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.211 0.605 . . . . 0.0 110.254 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -147.47 135.42 21.26 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 175.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 422' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -142.07 152.84 43.7 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.797 0.332 . . . . 0.0 110.476 -177.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -63.78 129.15 38.95 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 105.26 -10.1 46.63 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -60.85 158.63 12.67 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 117.57 0.685 . . . . 0.0 111.764 173.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 426' ' ' TRP . . . . . 0.426 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 59.9 p-90 -151.16 146.93 26.45 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.909 -176.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -95.9 147.74 23.35 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -178.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 49.8 t -61.85 130.09 92.19 Favored Pre-proline 0 N--CA 1.452 -0.372 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.8 -13.49 21.88 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 123.421 2.747 . . . . 0.0 111.562 -178.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -70.91 124.88 91.76 Favored Pre-proline 0 CA--C 1.534 0.33 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.97 -17.34 46.29 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 122.636 2.224 . . . . 0.0 110.623 177.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.3 p -90.2 0.74 57.04 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 176.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 48.1 t -121.94 -69.74 0.82 Allowed 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.093 0.557 . . . . 0.0 110.606 -175.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 53.07 17.08 0.85 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.017 0.927 . . . . 0.0 112.749 -177.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -69.58 145.47 52.52 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.7 tpt -84.33 136.54 33.86 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.903 -0.776 . . . . 0.0 108.903 177.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -123.09 145.27 48.71 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.853 0.359 . . . . 0.0 110.992 -175.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -65.03 154.2 38.46 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.11 -0.496 . . . . 0.0 112.067 178.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 39.0 t -62.3 -32.02 72.7 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -173.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 56.9 p-90 -80.37 -9.44 59.75 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -176.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -78.18 147.1 34.65 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 117.894 0.315 . . . . 0.0 110.477 175.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 442' ' ' ASN . . . . . 0.441 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 90.3 m-20 -111.93 -5.47 14.34 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 122.602 0.361 . . . . 0.0 110.783 174.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -141.77 159.84 41.41 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.013 0.525 . . . . 0.0 110.202 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 50.9 t -63.58 147.74 50.67 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.646 -177.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -81.09 -3.12 50.92 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -177.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -135.41 -37.93 0.76 Allowed 'General case' 0 C--N 1.342 0.272 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -171.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 28.9 p -118.23 3.03 12.0 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp 58.41 15.87 3.77 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.875 0.87 . . . . 0.0 112.741 176.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.79 140.16 97.19 Favored Pre-proline 0 CA--C 1.53 0.203 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.59 149.05 67.45 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.949 2.433 . . . . 0.0 111.089 -176.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 451' ' ' LYS . . . . . 0.441 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.2 ttmt -67.37 -55.22 15.72 Favored Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.478 174.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -67.33 168.66 17.24 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 122.815 2.344 . . . . 0.0 110.695 172.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -71.43 -4.69 27.84 Favored 'General case' 0 CA--C 1.528 0.129 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.194 0 CA-C-O 117.272 -1.849 . . . . 0.0 110.671 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 O4'-C1'-N19 111.955 3.755 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.477 0 C5'-C4'-C3' 111.396 -2.736 . 0.01 8d . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.99 1 C5'-C4'-C3' 109.495 -4.003 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1t' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.771 0 C5'-C4'-C3' 110.4 -3.4 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.472 0 C5'-C4'-C3' 109.666 -3.89 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.012 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -68.32 159.97 51.01 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 123.863 3.042 . . . . 0.0 110.901 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 66.3 tp -67.39 133.29 49.31 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -82.77 173.56 52.58 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.75 -0.54 . . . . 0.0 111.75 -177.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 75.6 m 57.76 11.09 1.23 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.362 1.065 . . . . 0.0 113.27 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . -82.68 150.5 28.2 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -76.01 161.54 28.81 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -151.63 137.72 18.26 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.577 0.227 . . . . 0.0 111.273 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 422' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -146.85 158.77 44.0 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 124.243 1.017 . . . . 0.0 109.747 178.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -61.37 126.96 29.24 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 108.59 -11.39 35.72 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -63.22 167.45 5.13 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 117.178 0.489 . . . . 0.0 112.255 174.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 426' ' ' TRP . . . . . 0.434 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 65.1 p-90 -150.87 139.21 20.34 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 120.89 0.376 . . . . 0.0 110.53 179.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -89.51 145.57 25.2 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 49.0 t -60.45 131.04 90.38 Favored Pre-proline 0 N--CA 1.452 -0.374 0 C-N-CA 122.707 0.403 . . . . 0.0 109.941 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.65 -13.92 27.24 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.661 2.907 . . . . 0.0 111.541 -178.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -71.13 125.13 91.94 Favored Pre-proline 0 CA--C 1.532 0.279 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -67.25 -18.27 50.43 Favored 'Trans proline' 0 N--CA 1.451 -0.986 0 C-N-CA 122.715 2.277 . . . . 0.0 110.948 178.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 1.9 p -90.43 1.39 56.68 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 176.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 42.6 t -120.06 -70.05 0.81 Allowed 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 122.914 0.486 . . . . 0.0 110.38 -176.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 52.9 20.6 1.7 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.797 0.839 . . . . 0.0 112.629 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -70.51 142.32 51.86 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 122.238 -0.289 . . . . 0.0 110.34 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -83.21 100.23 10.45 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 176.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -85.49 147.75 26.3 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.639 0.256 . . . . 0.0 110.42 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 438' ' ' PHE . . . . . 0.41 ' CD2' ' C2 ' ' A' ' 2' ' ' ' G' . 20.1 m-30 -71.14 158.42 36.48 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 48.4 t -61.33 -28.84 69.5 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -171.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 440' ' ' TRP . . . . . 0.52 ' CZ2' " H1'" ' A' ' 1' ' ' ' U' . 48.2 p-90 -83.77 -10.55 58.01 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -176.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -78.68 148.04 33.29 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 118.122 0.419 . . . . 0.0 110.282 176.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 442' ' ' ASN . . . . . 0.502 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 88.2 m-20 -113.98 -7.7 13.11 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 122.651 0.38 . . . . 0.0 110.394 173.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 28.5 mp0 -135.43 157.82 45.92 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.629 0.772 . . . . 0.0 109.805 178.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 49.8 t -64.69 148.71 50.49 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.309 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -90.64 3.95 52.75 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.177 -176.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -136.62 -32.95 0.81 Allowed 'General case' 0 C--N 1.341 0.212 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -171.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 27.0 p -130.55 3.81 4.61 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.591 0.357 . . . . 0.0 111.883 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt 58.32 17.4 4.69 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.129 0.971 . . . . 0.0 113.195 175.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -66.49 141.57 97.18 Favored Pre-proline 0 CA--C 1.53 0.204 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.22 149.67 70.6 Favored 'Trans proline' 0 N--CA 1.449 -1.138 0 C-N-CA 123.215 2.61 . . . . 0.0 111.054 -176.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 451' ' ' LYS . . . . . 0.502 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 19.4 ttmt -68.49 -55.13 12.47 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-O 119.197 -0.43 . . . . 0.0 110.485 174.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -67.55 168.33 18.46 Favored 'Trans proline' 0 N--CA 1.449 -1.124 0 C-N-CA 122.882 2.388 . . . . 0.0 110.411 171.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -71.96 -3.86 25.1 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.177 0 CA-C-O 117.303 -1.832 . . . . 0.0 110.464 -179.867 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ' U' . . . . . 0.52 " H1'" ' CZ2' ' B' ' 440' ' ' TRP . . . . . . . . 0 O4'--C4' 1.416 -3.075 1 O4'-C1'-N19 112.302 4.102 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.514 HO2' " C5'" ' A' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.844 0 C4'-C3'-C2' 100.297 -2.403 . 0.147 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ' G' . . . . . 0.514 " C5'" HO2' ' A' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.401 0 O4'-C1'-N19 111.523 3.323 . 0.448 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.976 0 C5'-C4'-C3' 110.216 -3.522 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.248 1 O4'-C1'-N19 112.228 4.028 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.16 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.62 167.46 24.2 Favored 'Trans proline' 0 N--CA 1.451 -0.994 0 C-N-CA 124.014 3.143 . . . . 0.0 110.767 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 96.6 mt -65.99 156.89 32.31 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 122.796 0.438 . . . . 0.0 110.369 178.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -178.92 161.76 28.3 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 29.4 t -71.13 147.74 48.11 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 122.776 0.431 . . . . 0.0 111.15 -178.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . -86.52 2.99 87.43 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -134.96 -39.6 0.77 Allowed 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 117.351 0.575 . . . . 0.0 110.4 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 59.51 153.51 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.944 1.298 . . . . 0.0 112.903 -178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 422' ' ' ARG . . . . . 0.413 ' HD2' ' C6 ' ' A' ' 2' ' ' ' G' . 73.6 mtt180 -145.04 155.91 43.63 Favored 'General case' 0 CA--C 1.527 0.077 0 C-N-CA 123.446 0.698 . . . . 0.0 109.522 175.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -70.03 -2.04 11.57 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -174.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . -104.05 -6.56 42.44 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -64.21 163.93 11.89 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -177.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 426' ' ' TRP . . . . . 0.428 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 67.8 p-90 -149.73 138.12 20.65 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.282 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -84.37 143.96 29.12 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.746 -0.206 . . . . 0.0 110.527 -176.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 46.9 t -62.19 131.74 93.66 Favored Pre-proline 0 N--CA 1.449 -0.478 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 177.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.49 -12.76 27.37 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.4 2.733 . . . . 0.0 111.704 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -72.84 124.37 90.66 Favored Pre-proline 0 CA--C 1.533 0.318 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -66.66 -17.89 53.09 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 122.764 2.309 . . . . 0.0 110.715 177.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 1.7 p -90.02 2.11 55.55 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 175.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 47.4 t -121.96 -68.68 0.88 Allowed 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 122.929 0.491 . . . . 0.0 110.505 -176.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 52.49 19.5 1.2 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.905 0.882 . . . . 0.0 112.628 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -71.42 137.14 48.07 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 122.258 -0.276 . . . . 0.0 110.27 178.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 1.1 ttm -81.55 108.32 15.03 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 173.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -87.47 149.52 24.36 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.132 0.573 . . . . 0.0 110.702 -178.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -63.17 153.92 32.88 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 178.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 92.2 p -61.95 -26.19 68.05 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -173.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 58.3 p-90 -88.97 -8.98 53.1 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -176.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -77.79 147.06 35.46 Favored 'General case' 0 C--N 1.339 0.111 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 176.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 442' ' ' ASN . . . . . 0.453 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 89.6 m-20 -111.43 -5.77 14.55 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 122.598 0.359 . . . . 0.0 110.604 175.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -141.75 159.27 42.57 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.069 0.548 . . . . 0.0 109.724 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 51.5 t -64.58 146.82 54.06 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.137 0.494 . . . . 0.0 110.083 -176.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -88.15 2.86 51.14 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.039 -176.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -136.05 -32.06 0.89 Allowed 'General case' 0 C--N 1.339 0.12 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -170.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 26.0 p -131.49 4.41 4.29 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 58.06 17.56 4.54 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.129 0.972 . . . . 0.0 113.379 175.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -66.7 141.61 97.02 Favored Pre-proline 0 N--CA 1.453 -0.29 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 175.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.89 149.96 66.8 Favored 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 123.01 2.473 . . . . 0.0 111.243 -176.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 451' ' ' LYS . . . . . 0.453 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.3 ttmt -68.27 -55.42 12.61 Favored Pre-proline 0 CA--C 1.532 0.278 0 C-N-CA 122.88 0.472 . . . . 0.0 110.129 174.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -66.86 168.48 16.91 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 122.526 2.151 . . . . 0.0 110.631 170.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -70.56 -11.61 61.04 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.118 0 CA-C-O 117.282 -1.843 . . . . 0.0 110.773 -178.699 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.399 0 O4'-C1'-N19 111.209 3.009 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.413 ' C6 ' ' HD2' ' B' ' 422' ' ' ARG . . . . . . . . 0 O4'--C4' 1.423 -2.463 0 N19-C1'-C2' 109.197 -2.627 . 0.011 8d . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.926 0 C5'-C4'-C3' 110.105 -3.597 . 0.06 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.878 0 C4'-C3'-C2' 100.568 -2.132 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 C5'-C4'-C3' 111.299 -2.801 . 0.222 5p . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.126 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.1 154.22 70.68 Favored 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 123.721 2.948 . . . . 0.0 110.425 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 86.0 mt -78.62 147.14 33.75 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.292 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 61.78 -158.62 32.64 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 47.2 t -75.27 -11.25 60.02 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.583 0.353 . . . . 0.0 110.42 176.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 72.19 173.67 21.34 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 14.3 pm0 -69.38 151.02 46.65 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 120.787 0.327 . . . . 0.0 110.214 177.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -137.51 152.25 49.29 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.048 0.539 . . . . 0.0 109.949 -177.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 422' ' ' ARG . . . . . 0.489 ' HD2' ' C6 ' ' A' ' 2' ' ' ' G' . 93.4 mtt180 -142.08 152.48 43.35 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 122.861 0.464 . . . . 0.0 110.093 177.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -62.4 127.96 33.79 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 103.93 -7.24 48.62 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -56.57 152.45 11.86 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 117.725 0.762 . . . . 0.0 111.578 172.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 426' ' ' TRP . . . . . 0.436 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 57.6 p-90 -153.81 144.99 22.9 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 120.973 0.415 . . . . 0.0 111.187 -176.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -93.75 149.11 21.5 Favored 'General case' 0 C--N 1.34 0.157 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 45.4 t -62.01 130.55 92.78 Favored Pre-proline 0 N--CA 1.448 -0.529 0 C-N-CA 122.703 0.401 . . . . 0.0 110.12 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -74.38 -13.14 22.98 Favored 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 123.669 2.912 . . . . 0.0 111.637 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -71.94 125.19 91.63 Favored Pre-proline 0 N--CA 1.454 -0.235 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -67.89 -17.73 46.75 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.891 2.394 . . . . 0.0 110.866 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.0 p -90.87 0.35 57.51 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 176.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 42.5 t -119.67 -68.51 0.91 Allowed 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 122.982 0.513 . . . . 0.0 110.629 -176.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 52.36 17.5 0.76 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.015 0.926 . . . . 0.0 112.757 -178.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -68.23 145.33 54.38 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 177.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 9.9 tpt -86.04 127.44 34.66 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 176.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -114.46 145.22 42.16 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.151 0.501 . . . . 0.0 110.758 -176.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -70.75 158.74 35.78 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -179.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 32.9 t -62.28 -30.52 71.19 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.045 0.538 . . . . 0.0 112.154 -173.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -82.08 -9.6 59.49 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 112.837 0.681 . . . . 0.0 112.837 -177.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -80.14 148.19 31.04 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-N 117.86 0.3 . . . . 0.0 110.56 175.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 442' ' ' ASN . . . . . 0.505 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 90.6 m-20 -115.73 -6.92 12.13 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.575 174.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 31.5 mp0 -136.04 157.84 45.86 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.487 0.715 . . . . 0.0 109.547 177.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 52.2 t -63.02 146.97 52.03 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 122.783 0.433 . . . . 0.0 110.014 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -87.06 3.65 45.23 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.117 -176.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -136.84 -33.81 0.76 Allowed 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -171.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 28.5 p -128.28 5.21 5.77 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm 57.98 16.43 3.73 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.851 0.86 . . . . 0.0 113.081 176.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.62 140.84 97.63 Favored Pre-proline 0 CA--C 1.533 0.325 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 176.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -70.12 147.99 61.78 Favored 'Trans proline' 0 N--CA 1.448 -1.152 0 C-N-CA 123.213 2.609 . . . . 0.0 110.819 -176.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 451' ' ' LYS . . . . . 0.505 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 19.4 ttmt -68.55 -56.48 9.94 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-O 119.061 -0.495 . . . . 0.0 110.477 174.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -69.83 177.38 5.69 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 122.905 2.404 . . . . 0.0 110.971 172.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 15.4 p30 -76.05 -10.27 59.28 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.243 0 CA-C-O 117.038 -1.979 . . . . 0.0 111.043 -178.026 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 O4'-C1'-N19 111.026 2.826 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.489 ' C6 ' ' HD2' ' B' ' 422' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.73 0 O4'-C1'-N19 111.493 3.293 . 0.01 8d . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ' G' . . . . . 0.423 " C5'" HO2' ' A' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.44 0 O4'-C1'-N19 111.803 3.603 . 0.49 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.005 0 C5'-C4'-C3' 110.549 -3.301 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.364 0 C5'-C4'-C3' 109.54 -3.973 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.245 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.94 159.12 54.41 Favored 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 123.832 3.022 . . . . 0.0 110.598 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 87.0 mt -69.18 -17.45 63.8 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.6 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -75.91 -13.06 83.49 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 33.2 t -75.4 -15.95 60.4 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 117.547 0.674 . . . . 0.0 110.786 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . -84.61 -13.91 71.82 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 177.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -82.66 167.42 18.27 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 117.221 0.511 . . . . 0.0 110.152 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 20.2 tm0? -150.41 140.19 21.77 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 176.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 422' ' ' ARG . . . . . 0.483 ' HD2' ' C6 ' ' A' ' 2' ' ' ' G' . 91.6 mtt180 -143.38 151.9 40.97 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 123.029 0.532 . . . . 0.0 109.995 177.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -63.2 125.05 22.8 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 107.22 -7.7 37.67 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.501 -0.64 . . . . 0.0 111.501 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -56.48 149.46 17.08 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 117.769 0.784 . . . . 0.0 111.654 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 426' ' ' TRP . . . . . 0.428 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 57.0 p-90 -153.16 140.18 19.26 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.339 -174.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -88.03 148.42 24.52 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 49.1 t -62.73 130.06 93.44 Favored Pre-proline 0 N--CA 1.447 -0.577 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.65 -13.86 24.64 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 123.229 2.619 . . . . 0.0 111.552 -178.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -72.24 124.75 91.25 Favored Pre-proline 0 CA--C 1.534 0.336 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -68.44 -17.41 43.88 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 122.806 2.337 . . . . 0.0 110.59 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.5 p -91.39 0.72 57.47 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 176.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 42.4 t -119.41 -68.95 0.88 Allowed 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.184 0.593 . . . . 0.0 110.681 -176.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 53.08 17.99 1.05 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.869 0.868 . . . . 0.0 113.031 -177.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -65.66 140.3 58.47 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 9.6 tpt -86.08 105.85 16.8 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -90.57 147.89 23.04 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.818 0.342 . . . . 0.0 111.483 -175.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 438' ' ' PHE . . . . . 0.433 ' CE2' ' C5 ' ' A' ' 3' ' ' ' G' . 15.8 m-85 -69.39 156.49 38.74 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 178.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 91.7 p -62.29 -29.13 70.21 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -173.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 55.8 p-90 -84.64 -9.0 58.67 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -175.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -80.03 149.31 30.76 Favored 'General case' 0 N--CA 1.457 -0.089 0 O-C-N 122.296 -0.253 . . . . 0.0 110.566 175.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 442' ' ' ASN . . . . . 0.475 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 88.2 m-20 -114.71 -7.43 12.7 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 123.242 0.339 . . . . 0.0 110.619 174.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 30.2 mp0 -136.91 157.6 46.37 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.594 0.758 . . . . 0.0 110.025 178.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 50.3 t -64.35 147.16 53.16 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 122.834 0.453 . . . . 0.0 110.367 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -84.46 -1.32 55.49 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.209 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -134.26 -33.63 1.0 Allowed 'General case' 0 C--N 1.339 0.12 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -172.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 27.9 p -124.69 2.42 8.22 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 96.4 mttt 58.06 17.6 4.57 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.906 0.883 . . . . 0.0 112.801 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.7 140.16 97.96 Favored Pre-proline 0 N--CA 1.453 -0.294 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 175.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.29 148.78 62.4 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 122.94 2.427 . . . . 0.0 110.806 -176.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 451' ' ' LYS . . . . . 0.475 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.0 ttmt -67.86 -55.84 12.89 Favored Pre-proline 0 CA--C 1.539 0.525 0 CA-C-O 119.038 -0.506 . . . . 0.0 110.469 174.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -67.5 165.88 25.72 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.665 2.244 . . . . 0.0 110.623 172.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -73.18 -10.98 60.35 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.288 -0.414 . . . . 0.0 109.936 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.181 0 CA-C-O 117.263 -1.854 . . . . 0.0 110.743 179.892 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.477 0 O4'-C1'-N19 111.835 3.635 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.666 HO2' " H5'" ' A' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.307 0 O4'-C1'-N19 111.109 2.909 . 0.0 OUTLIER '7D dist 8d' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ' G' . . . . . 0.666 " H5'" HO2' ' A' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.356 0 C5'-C4'-C3' 110.626 -3.249 . 0.469 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.055 0 C3'-C2'-C1' 103.582 2.313 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.25 0 C5'-C4'-C3' 111.492 -2.672 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.07 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.2 157.5 61.43 Favored 'Trans proline' 0 N--CA 1.452 -0.968 0 C-N-CA 123.741 2.961 . . . . 0.0 111.067 -178.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 59.1 tp -156.66 153.21 28.15 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -75.37 1.58 56.15 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-O 119.972 -0.349 . . . . 0.0 112.453 -177.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 46.2 t -66.44 145.83 55.23 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 117.434 0.617 . . . . 0.0 110.881 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 168.71 161.0 17.98 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -147.48 171.83 14.92 Favored 'General case' 0 C--O 1.231 0.086 0 C-N-CA 123.456 0.702 . . . . 0.0 110.099 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 22.1 tm0? -142.34 138.28 31.13 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 176.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 422' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -147.7 156.21 42.53 Favored 'General case' 0 C--N 1.339 0.151 0 C-N-CA 122.87 0.468 . . . . 0.0 110.446 -176.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -62.19 131.39 49.28 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 177.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 105.05 -11.59 48.71 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -178.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -58.57 159.68 6.26 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 117.561 0.681 . . . . 0.0 111.768 173.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 426' ' ' TRP . . . . . 0.435 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 61.9 p-90 -151.77 148.04 27.39 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.732 -177.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -96.47 147.12 24.17 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.303 -177.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 49.8 t -61.92 129.63 91.92 Favored Pre-proline 0 N--CA 1.447 -0.598 0 C-N-CA 122.697 0.399 . . . . 0.0 110.051 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.52 -13.66 22.52 Favored 'Trans proline' 0 N--CA 1.451 -0.982 0 C-N-CA 123.441 2.76 . . . . 0.0 111.594 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -71.06 124.6 91.28 Favored Pre-proline 0 N--CA 1.452 -0.364 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.41 -17.38 44.04 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 122.55 2.166 . . . . 0.0 110.79 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.7 p -90.53 -0.45 57.67 Favored 'General case' 0 CA--C 1.527 0.066 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 175.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 42.1 t -118.91 -68.67 0.9 Allowed 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.822 0.449 . . . . 0.0 110.466 -176.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 52.5 17.61 0.81 Allowed 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.84 0.856 . . . . 0.0 112.825 -177.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -68.04 145.57 54.34 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.5 tpt -85.8 138.4 32.1 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 176.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -124.08 145.58 49.16 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.694 0.283 . . . . 0.0 110.872 -175.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 438' ' ' PHE . . . . . 0.49 ' CE1' " H2'" ' A' ' 2' ' ' ' G' . 20.5 m-85 -68.89 159.16 33.12 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 42.8 t -62.62 -31.4 72.24 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -172.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 440' ' ' TRP . . . . . 0.523 ' CZ2' " H1'" ' A' ' 1' ' ' ' U' . 52.4 p-90 -81.75 -11.84 58.84 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -176.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -76.38 145.89 39.1 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-N 117.938 0.335 . . . . 0.0 110.484 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 442' ' ' ASN . . . . . 0.443 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 90.2 m-20 -112.32 -5.72 14.12 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 122.784 0.434 . . . . 0.0 110.554 174.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -141.47 160.06 40.93 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.89 0.476 . . . . 0.0 110.007 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 42.1 t -65.3 151.49 46.08 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 123.146 0.578 . . . . 0.0 110.298 -178.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -92.22 4.64 52.83 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.278 -177.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -136.11 -33.84 0.82 Allowed 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -173.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 27.5 p -128.13 4.03 5.83 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 58.34 15.07 3.21 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.844 0.858 . . . . 0.0 112.892 176.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.35 140.77 97.86 Favored Pre-proline 0 N--CA 1.455 -0.224 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 177.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.64 150.09 68.47 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.077 2.518 . . . . 0.0 110.898 -176.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 451' ' ' LYS . . . . . 0.443 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.8 ttmt -66.3 -55.43 20.13 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-O 119.163 -0.446 . . . . 0.0 110.471 173.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -67.64 169.9 14.96 Favored 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 122.705 2.27 . . . . 0.0 110.656 171.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -68.93 -12.05 61.25 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 CA-C-O 117.141 -1.922 . . . . 0.0 110.612 -178.574 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ' U' . . . . . 0.523 " H1'" ' CZ2' ' B' ' 440' ' ' TRP . . . . . . . . 0 O4'--C4' 1.42 -2.784 1 O4'-C1'-N19 112.513 4.313 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.647 HO2' " H5'" ' A' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.96 0 N19-C1'-C2' 109.725 -2.297 . 0.238 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ' G' . . . . . 0.647 " H5'" HO2' ' A' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.22 0 C5'-C4'-C3' 110.325 -3.45 . 0.163 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.173 0 O4'-C1'-N19 110.604 2.404 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.307 0 C5'-C4'-C3' 110.195 -3.537 . 0.258 5q . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.174 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.89 164.84 33.17 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 123.865 3.043 . . . . 0.0 110.681 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 87.2 mt -75.31 -9.26 58.4 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.011 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 173.24 173.52 39.64 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 178.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 96.8 p -158.21 176.18 12.82 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.993 0.517 . . . . 0.0 109.93 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 75.7 -162.86 53.31 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -75.12 -6.82 51.59 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -177.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 47.93 60.04 3.82 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.325 0.65 . . . . 0.0 111.684 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 422' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -79.94 161.09 25.71 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 122.709 0.403 . . . . 0.0 110.518 -177.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -63.74 124.4 21.36 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 105.03 -9.07 46.3 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -62.35 159.71 14.75 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 117.333 0.566 . . . . 0.0 111.805 174.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 426' ' ' TRP . . . . . 0.421 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 60.2 p-90 -153.31 143.91 22.6 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 121.149 -0.22 . . . . 0.0 111.01 -177.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -90.53 148.43 22.72 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 49.6 t -63.18 129.8 93.72 Favored Pre-proline 0 N--CA 1.452 -0.33 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.4 -14.38 25.23 Favored 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 123.436 2.757 . . . . 0.0 111.391 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -71.07 124.86 91.71 Favored Pre-proline 0 CA--C 1.532 0.261 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.92 -18.11 46.63 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 122.698 2.265 . . . . 0.0 110.726 178.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.1 p -90.28 0.19 57.34 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 176.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 42.4 t -118.64 -69.38 0.85 Allowed 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.025 0.53 . . . . 0.0 110.294 -176.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 53.96 16.05 1.01 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.025 0.93 . . . . 0.0 112.489 -178.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -69.15 145.76 53.03 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 9.8 tpt -85.26 132.79 34.21 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 176.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -117.33 145.3 44.11 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.067 0.46 . . . . 0.0 110.643 -177.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -68.18 155.76 38.96 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -178.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 89.2 p -62.02 -26.54 68.3 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.099 0.56 . . . . 0.0 112.431 -173.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 57.8 p-90 -87.12 -8.6 56.84 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -176.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -81.11 151.59 28.22 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 117.729 0.24 . . . . 0.0 110.51 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 442' ' ' ASN . . . . . 0.475 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 90.7 m-20 -116.16 -4.96 11.9 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.768 0.427 . . . . 0.0 110.535 174.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -141.56 159.4 42.29 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.254 0.622 . . . . 0.0 109.736 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 45.8 t -63.91 149.01 48.11 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 122.882 0.473 . . . . 0.0 110.384 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -89.45 3.71 51.46 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.106 -176.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -136.9 -32.49 0.8 Allowed 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -172.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 28.0 p -129.75 3.31 4.95 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 96.1 mttt 57.64 18.12 4.5 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.903 0.881 . . . . 0.0 112.927 176.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.58 140.65 97.59 Favored Pre-proline 0 CA--C 1.531 0.212 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 175.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.9 148.05 63.35 Favored 'Trans proline' 0 N--CA 1.45 -1.036 0 C-N-CA 122.985 2.457 . . . . 0.0 111.259 -176.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 451' ' ' LYS . . . . . 0.475 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 19.1 ttmt -68.18 -55.9 11.92 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-O 119.097 -0.478 . . . . 0.0 110.64 174.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -68.33 164.31 33.01 Favored 'Trans proline' 0 N--CA 1.451 -1.027 0 C-N-CA 122.814 2.342 . . . . 0.0 110.685 172.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -76.41 -3.53 37.54 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.126 0 CA-C-O 117.324 -1.82 . . . . 0.0 110.946 -179.797 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.551 0 C5'-C4'-C3' 109.893 -3.738 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.482 0 C5'-C4'-C3' 112.097 -2.269 . 0.0 OUTLIER '7D dist 8d' 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.302 0 O4'-C1'-N19 112.188 3.988 . 0.59 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.022 0 O4'-C1'-N19 111.072 2.872 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.891 0 C5'-C4'-C3' 109.573 -3.952 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.171 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.22 -11.51 25.03 Favored 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 124.016 3.144 . . . . 0.0 111.435 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 45.1 mt -64.1 153.5 37.42 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 122.471 0.309 . . . . 0.0 111.014 -177.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -71.27 -18.64 76.87 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 177.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 44.0 t -162.37 147.7 12.6 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 122.866 0.466 . . . . 0.0 109.785 176.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . -93.12 135.7 12.77 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.314 -1.115 . . . . 0.0 110.314 178.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -161.44 153.77 20.02 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -137.17 143.17 42.26 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 176.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 422' ' ' ARG . . . . . 0.482 ' HD2' ' C6 ' ' A' ' 2' ' ' ' G' . 93.5 mtt180 -143.83 152.07 40.71 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.867 0.365 . . . . 0.0 110.606 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -63.05 128.24 34.95 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 177.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 104.2 -6.18 46.32 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -54.96 148.16 14.04 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 117.861 0.831 . . . . 0.0 111.134 171.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 426' ' ' TRP . . . . . 0.43 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 57.9 p-90 -152.95 141.85 21.17 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.025 -175.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -93.07 147.13 23.11 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -178.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 49.2 t -59.62 131.13 88.38 Favored Pre-proline 0 N--CA 1.449 -0.492 0 C-N-CA 122.875 0.47 . . . . 0.0 110.351 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.44 -13.27 27.7 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.46 2.773 . . . . 0.0 111.531 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -72.16 125.06 91.59 Favored Pre-proline 0 CA--C 1.531 0.231 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -67.58 -16.83 47.8 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.754 2.303 . . . . 0.0 110.755 177.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.8 p -91.34 1.32 57.2 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 176.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 42.5 t -120.13 -68.98 0.87 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.109 0.564 . . . . 0.0 110.416 -176.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 52.32 21.31 1.65 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.879 0.872 . . . . 0.0 112.666 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -71.19 138.08 49.24 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.984 -0.448 . . . . 0.0 110.06 178.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 2.6 tpt -80.39 100.59 8.54 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 176.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -86.63 147.46 25.9 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.867 0.365 . . . . 0.0 111.216 -177.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 13.6 m-30 -67.84 157.17 35.45 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 177.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 29.9 t -62.86 -33.12 74.6 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 123.099 0.56 . . . . 0.0 112.378 -173.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 58.2 p-90 -79.72 -10.85 59.85 Favored 'General case' 0 C--O 1.23 0.038 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -176.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -78.71 144.27 35.44 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-N 117.96 0.345 . . . . 0.0 110.23 176.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 442' ' ' ASN . . . . . 0.478 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 91.2 m-20 -110.73 -4.85 15.14 Favored 'General case' 0 C--O 1.23 0.064 0 C-N-CA 122.54 0.336 . . . . 0.0 110.458 174.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -140.87 159.3 42.51 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.186 0.594 . . . . 0.0 109.609 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 42.2 t -64.32 149.13 48.78 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.454 -176.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -89.49 3.38 52.59 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.885 -177.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -135.71 -33.45 0.86 Allowed 'General case' 0 CA--C 1.528 0.111 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -172.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 25.8 p -131.07 6.34 4.57 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -177.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp 57.68 16.22 3.34 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.09 0.956 . . . . 0.0 113.057 176.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.83 140.2 97.16 Favored Pre-proline 0 CA--C 1.531 0.234 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 176.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.72 149.19 66.84 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 122.992 2.461 . . . . 0.0 110.981 -176.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 451' ' ' LYS . . . . . 0.478 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 21.1 ttmt -67.37 -56.36 12.91 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-O 119.15 -0.452 . . . . 0.0 110.195 174.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -67.58 168.15 18.99 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.686 2.257 . . . . 0.0 110.45 172.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -72.27 -4.59 30.5 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 117.315 -1.825 . . . . 0.0 110.688 179.869 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 C5'-C4'-C3' 110.118 -3.588 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.727 HO2' " H5'" ' A' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.599 0 O4'-C1'-N19 110.876 2.676 . 0.0 OUTLIER '7D dist 8d' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ' G' . . . . . 0.727 " H5'" HO2' ' A' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.255 0 C5'-C4'-C3' 110.662 -3.225 . 0.392 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.75 0 C3'-C2'-C1' 104.22 3.022 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.999 0 C5'-C4'-C3' 110.672 -3.219 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.104 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -56.89 151.91 46.17 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 123.883 3.055 . . . . 0.0 111.693 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 53.5 mt 56.17 16.74 2.41 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.61 0.764 . . . . 0.0 111.961 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -76.5 3.86 52.64 Favored Glycine 0 CA--C 1.529 0.927 0 N-CA-C 111.764 -0.534 . . . . 0.0 111.764 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 88.9 p -66.38 -14.16 61.71 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 117.372 0.586 . . . . 0.0 111.242 -177.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . -86.91 -8.62 75.71 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 111.982 -0.447 . . . . 0.0 111.982 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -75.18 157.57 34.36 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 117.36 0.58 . . . . 0.0 110.361 -178.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -131.71 147.62 52.52 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 175.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 422' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -145.54 154.28 42.01 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 123.009 0.524 . . . . 0.0 110.266 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -62.59 127.79 32.95 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 106.49 -10.34 42.27 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -61.81 160.02 12.71 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 117.543 0.672 . . . . 0.0 111.598 174.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 426' ' ' TRP . . . . . 0.433 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 63.4 p-90 -152.25 140.02 19.92 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 120.798 0.332 . . . . 0.0 110.608 -177.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -89.46 146.08 24.87 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 43.9 t -60.29 131.4 90.09 Favored Pre-proline 0 N--CA 1.447 -0.582 0 C-N-CA 122.839 0.455 . . . . 0.0 110.26 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -72.72 -13.21 26.97 Favored 'Trans proline' 0 N--CA 1.451 -1.027 0 C-N-CA 123.605 2.87 . . . . 0.0 111.716 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -71.87 125.17 91.66 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.52 -18.25 48.91 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 122.672 2.248 . . . . 0.0 110.714 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.1 p -90.32 0.76 57.1 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 176.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 42.7 t -118.5 -69.09 0.87 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.403 0.681 . . . . 0.0 110.47 -176.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 51.92 21.06 1.36 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.858 0.863 . . . . 0.0 112.793 -178.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -71.71 140.72 49.71 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 122.037 -0.415 . . . . 0.0 110.023 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -82.63 99.7 9.74 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 176.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -85.09 148.01 26.36 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.917 0.389 . . . . 0.0 110.57 -178.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -68.86 156.06 39.13 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 91.1 p -61.76 -26.91 68.37 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -172.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 57.0 p-90 -86.96 -9.64 55.14 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -176.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -79.69 147.07 32.1 Favored 'General case' 0 C--N 1.338 0.073 0 CA-C-N 117.81 0.277 . . . . 0.0 110.389 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 442' ' ' ASN . . . . . 0.481 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 89.3 m-20 -111.92 -5.08 14.38 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 122.762 0.425 . . . . 0.0 110.7 173.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -140.08 158.43 44.06 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.309 0.644 . . . . 0.0 109.574 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 48.7 t -64.67 149.55 48.84 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 122.796 0.438 . . . . 0.0 110.676 -176.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -92.49 7.49 42.9 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.196 -176.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -137.81 -33.59 0.71 Allowed 'General case' 0 C--N 1.339 0.146 0 O-C-N 122.394 -0.191 . . . . 0.0 111.491 -174.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 25.7 p -131.29 4.38 4.36 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 122.738 0.415 . . . . 0.0 111.872 -178.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 67.6 mttm 57.46 17.51 3.9 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.941 0.897 . . . . 0.0 113.349 175.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.79 142.29 98.08 Favored Pre-proline 0 N--CA 1.453 -0.284 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 175.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.25 147.73 60.32 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.082 2.522 . . . . 0.0 111.231 -176.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 451' ' ' LYS . . . . . 0.481 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 19.8 ttmt -66.92 -57.07 12.13 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-O 118.91 -0.567 . . . . 0.0 110.495 175.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -67.83 165.78 26.68 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 122.799 2.333 . . . . 0.0 110.528 173.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -76.89 -3.97 41.4 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 CA-C-O 117.313 -1.826 . . . . 0.0 110.818 -179.564 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.789 0 C5'-C4'-C3' 109.742 -3.839 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.446 " H2'" H5'' ' A' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C5'-C4'-C3' 111.519 -2.654 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ' G' . . . . . 0.446 H5'' " H2'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.208 0 C4'-C3'-C2' 99.687 -3.013 . 0.01 7r . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.306 0 C5'-C4'-C3' 109.795 -3.804 . 0.101 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.29 0 C5'-C4'-C3' 110.138 -3.575 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.136 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.05 160.45 49.84 Favored 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 123.903 3.069 . . . . 0.0 110.759 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 78.3 mt -73.03 151.01 41.92 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.296 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -83.77 -7.5 85.76 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 70.0 m -75.36 163.41 27.48 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.792 0.437 . . . . 0.0 110.729 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 76.45 176.85 42.93 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 -76.13 167.34 22.04 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.782 0.325 . . . . 0.0 110.571 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -147.21 140.53 25.38 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.161 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 422' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -143.11 157.0 44.92 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 123.436 0.694 . . . . 0.0 109.952 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -70.65 -2.81 15.57 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -175.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . -99.27 -8.42 53.21 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 178.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -65.02 166.44 9.37 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.043 0.537 . . . . 0.0 112.088 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 426' ' ' TRP . . . . . 0.432 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 67.0 p-90 -149.85 142.12 24.17 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.96 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -86.61 144.85 26.98 Favored 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 48.5 t -62.25 130.75 93.28 Favored Pre-proline 0 N--CA 1.448 -0.557 0 C-N-CA 123.123 0.569 . . . . 0.0 109.776 178.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.81 -13.11 26.74 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.816 3.011 . . . . 0.0 111.783 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -72.11 125.2 91.56 Favored Pre-proline 0 CA--C 1.535 0.376 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.51 -17.21 48.6 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.717 2.278 . . . . 0.0 110.66 177.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.6 p -91.47 0.52 57.5 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 176.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 43.9 t -119.84 -68.27 0.92 Allowed 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.958 0.503 . . . . 0.0 110.374 -176.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 52.53 15.72 0.54 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.249 1.019 . . . . 0.0 112.966 -178.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -70.41 142.39 52.05 Favored 'General case' 0 N--CA 1.456 -0.136 0 O-C-N 122.039 -0.413 . . . . 0.0 110.202 177.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 7.1 ttm -83.97 136.73 33.95 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 173.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -119.82 146.95 45.23 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.239 0.616 . . . . 0.0 110.23 -174.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -62.11 153.83 28.85 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 94.2 p -62.32 -26.62 68.53 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 122.986 0.514 . . . . 0.0 112.066 -171.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -87.97 -10.0 51.79 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -176.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -75.46 143.98 42.34 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 117.975 0.352 . . . . 0.0 110.233 176.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 442' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -108.43 -6.11 16.34 Favored 'General case' 0 C--N 1.334 -0.103 0 C-N-CA 122.537 0.335 . . . . 0.0 110.382 175.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -141.26 159.37 42.37 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 122.973 0.509 . . . . 0.0 110.556 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 52.4 t -64.7 145.78 55.7 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.018 0.527 . . . . 0.0 110.499 -177.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -80.44 -1.25 40.71 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.035 0.534 . . . . 0.0 111.044 -177.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -134.67 -41.14 0.78 Allowed 'General case' 0 C--N 1.34 0.185 0 CA-C-N 118.241 0.473 . . . . 0.0 111.809 -172.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 27.5 p -115.63 1.12 13.47 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.337 0.255 . . . . 0.0 111.598 -178.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm 57.83 18.69 5.1 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.875 0.87 . . . . 0.0 112.788 175.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -66.71 143.03 97.89 Favored Pre-proline 0 CA--C 1.532 0.273 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 175.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.58 148.66 66.74 Favored 'Trans proline' 0 N--CA 1.45 -1.054 0 C-N-CA 122.93 2.42 . . . . 0.0 111.16 -176.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 451' ' ' LYS . . . . . 0.432 ' HB2' ' CZ2' ' B' ' 426' ' ' TRP . 19.7 ttmt -67.0 -55.49 16.11 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-O 119.323 -0.37 . . . . 0.0 110.427 174.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -67.59 168.98 16.79 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.596 2.198 . . . . 0.0 110.676 172.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -70.65 -4.43 23.38 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 117.379 -1.789 . . . . 0.0 110.525 -179.92 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.954 0 O4'-C1'-N19 111.613 3.413 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.383 0 N19-C1'-C2' 109.377 -2.514 . 0.0 OUTLIER '7D dist 8d' 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.682 0 C5'-C4'-C3' 110.375 -3.417 . 0.073 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ' U' . . . . . 0.476 HO2' " C5'" ' A' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.116 0 C3'-C2'-C1' 103.382 2.091 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . 0.476 " C5'" HO2' ' A' ' 4' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.058 0 O4'-C1'-N19 112.092 3.892 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.998 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.11 163.73 37.48 Favored 'Trans proline' 0 N--CA 1.452 -0.955 0 C-N-CA 123.66 2.907 . . . . 0.0 110.484 177.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 86.3 mt -73.78 -6.47 47.18 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.918 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 83.66 -176.96 52.48 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.677 -0.569 . . . . 0.0 111.677 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 37.2 t -68.52 161.68 27.33 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.217 0.607 . . . . 0.0 111.207 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . -73.0 -6.74 68.81 Favored Glycine 0 CA--C 1.532 1.151 0 N-CA-C 111.663 -0.575 . . . . 0.0 111.663 178.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 420' ' ' GLN . . . . . 0.531 ' HG3' ' H22' ' A' ' 2' ' ' ' G' . 7.2 tp-100 -61.68 128.48 36.47 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 117.372 0.586 . . . . 0.0 109.624 176.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -152.62 144.88 23.93 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.266 0.226 . . . . 0.0 110.538 -177.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 422' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -143.67 157.77 44.16 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 123.572 0.749 . . . . 0.0 109.734 -179.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -62.35 128.7 37.3 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 105.9 -12.02 45.43 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 110.779 -0.929 . . . . 0.0 110.779 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -60.81 162.42 6.81 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 117.41 0.605 . . . . 0.0 112.291 174.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 426' ' ' TRP . . . . . 0.437 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 59.0 p-90 -153.52 137.84 16.63 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.926 0.393 . . . . 0.0 110.708 -178.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -87.53 146.08 25.95 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 38.9 t -59.56 131.51 88.32 Favored Pre-proline 0 N--CA 1.45 -0.457 0 C-N-CA 122.674 0.39 . . . . 0.0 110.271 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.1 -14.62 28.97 Favored 'Trans proline' 0 N--CA 1.45 -1.041 0 C-N-CA 123.469 2.779 . . . . 0.0 111.376 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -71.0 125.04 91.98 Favored Pre-proline 0 N--CA 1.452 -0.333 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -67.09 -17.19 50.67 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 122.745 2.297 . . . . 0.0 110.947 178.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.3 p -90.99 -2.12 57.74 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 176.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 42.6 t -115.87 -67.4 1.0 Allowed 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.607 0.363 . . . . 0.0 110.7 -175.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 51.75 20.54 1.16 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.033 0.933 . . . . 0.0 113.028 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -72.0 143.3 49.23 Favored 'General case' 0 N--CA 1.455 -0.188 0 O-C-N 121.973 -0.454 . . . . 0.0 110.502 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -82.94 100.2 10.27 Favored 'General case' 0 C--O 1.23 0.078 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 175.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -85.08 147.2 26.77 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 122.44 0.296 . . . . 0.0 110.382 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -70.7 158.91 35.43 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 42.1 t -62.49 -28.12 69.61 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 122.967 0.507 . . . . 0.0 112.299 -173.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 -85.74 -8.72 57.99 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -177.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 89.9 mtt-85 -80.45 150.72 29.62 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 117.908 0.322 . . . . 0.0 110.605 175.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 442' ' ' ASN . . . . . 0.489 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 88.6 m-20 -117.5 -7.29 11.13 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 122.715 0.406 . . . . 0.0 110.308 173.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 29.6 mp0 -135.71 158.06 45.32 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.577 0.751 . . . . 0.0 109.679 177.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 51.7 t -65.73 147.5 53.28 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 120.986 0.422 . . . . 0.0 110.356 -177.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -84.85 -2.48 57.83 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.032 -177.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -134.06 -30.78 1.18 Allowed 'General case' 0 C--O 1.233 0.195 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -171.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 26.8 p -129.06 3.19 5.26 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.477 0.311 . . . . 0.0 111.754 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 61.7 mttp 58.12 17.6 4.64 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 124.129 0.971 . . . . 0.0 113.057 175.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -66.5 141.82 97.31 Favored Pre-proline 0 N--CA 1.452 -0.342 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 175.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.76 149.85 67.47 Favored 'Trans proline' 0 N--CA 1.45 -1.042 0 C-N-CA 123.126 2.55 . . . . 0.0 110.899 -177.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 451' ' ' LYS . . . . . 0.489 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 19.5 ttmt -68.36 -56.76 9.84 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-O 119.202 -0.428 . . . . 0.0 110.348 174.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -68.33 165.59 28.29 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 122.75 2.3 . . . . 0.0 110.607 173.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -76.49 -11.84 59.94 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.78 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.146 0 CA-C-O 117.317 -1.824 . . . . 0.0 110.755 179.572 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.534 0 O4'-C1'-N19 111.285 3.085 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.531 ' H22' ' HG3' ' B' ' 420' ' ' GLN . . . . . . . . 0 O4'--C4' 1.424 -2.44 0 C5'-C4'-C3' 111.478 -2.681 . 0.011 8d . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.946 1 C5'-C4'-C3' 109.299 -4.134 . 0.039 7r . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C5'-C4'-C3' 109.565 -3.957 . 0.308 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 C5'-C4'-C3' 110.114 -3.59 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.14 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.5 -13.15 27.53 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 123.783 2.989 . . . . 0.0 111.249 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 63.4 tp -65.96 150.89 47.92 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.142 0.577 . . . . 0.0 110.429 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 83.46 -173.97 51.74 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 77.6 p -68.64 147.41 51.93 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.888 0.375 . . . . 0.0 110.533 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . -89.4 2.93 83.65 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 112.247 -0.341 . . . . 0.0 112.247 -178.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -142.55 167.43 22.1 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 117.58 0.69 . . . . 0.0 110.677 -176.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -138.99 140.34 38.17 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 175.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 422' ' ' ARG . . . . . 0.511 ' HD2' ' C6 ' ' A' ' 2' ' ' ' G' . 91.1 mtt180 -143.15 152.33 41.68 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.231 0.539 . . . . 0.0 110.792 -176.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -62.51 129.22 39.65 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 103.43 -7.13 50.51 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -55.17 149.72 11.99 Favored 'General case' 0 C--N 1.338 0.08 0 CA-C-N 117.629 0.715 . . . . 0.0 111.395 171.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 426' ' ' TRP . . . . . 0.428 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 55.9 p-90 -153.44 145.26 23.51 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.05 -176.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -93.89 149.23 21.41 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 47.8 t -62.2 130.13 92.73 Favored Pre-proline 0 N--CA 1.452 -0.343 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -73.92 -13.89 23.96 Favored 'Trans proline' 0 N--CA 1.451 -0.982 0 C-N-CA 123.656 2.904 . . . . 0.0 111.737 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -71.27 124.98 91.86 Favored Pre-proline 0 CA--C 1.533 0.322 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -67.76 -17.08 47.3 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 122.619 2.213 . . . . 0.0 110.593 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 1.5 p -92.54 6.43 47.24 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 176.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 45.6 t -126.04 -68.87 0.8 Allowed 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.894 0.477 . . . . 0.0 110.487 -177.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 53.61 15.78 0.83 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.022 0.929 . . . . 0.0 112.675 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -67.48 145.7 54.71 Favored 'General case' 0 N--CA 1.457 -0.096 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.3 tpt -85.28 132.43 34.26 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 176.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -118.91 145.62 45.59 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.899 0.38 . . . . 0.0 110.96 -176.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -71.77 158.96 35.16 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 38.5 t -62.36 -31.25 71.87 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.969 0.507 . . . . 0.0 112.109 -173.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 54.2 p-90 -82.12 -10.02 59.33 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -177.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -79.5 148.67 31.74 Favored 'General case' 0 C--N 1.34 0.166 0 CA-C-N 117.828 0.285 . . . . 0.0 110.443 176.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 442' ' ' ASN . . . . . 0.411 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 91.1 m-20 -114.25 -5.17 12.99 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.002 0.521 . . . . 0.0 110.291 173.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -140.51 160.09 40.76 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.262 0.625 . . . . 0.0 110.105 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 50.8 t -64.42 148.35 50.68 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.268 -179.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -88.03 4.28 45.73 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.736 0.415 . . . . 0.0 109.961 -176.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -136.85 -32.42 0.81 Allowed 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -172.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 26.9 p -130.22 2.7 4.71 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.616 0.367 . . . . 0.0 111.737 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp 57.03 18.72 4.17 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 177.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.67 139.48 97.77 Favored Pre-proline 0 N--CA 1.454 -0.227 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 174.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.35 148.17 67.14 Favored 'Trans proline' 0 N--CA 1.449 -1.12 0 C-N-CA 123.039 2.493 . . . . 0.0 111.051 -176.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 451' ' ' LYS . . . . . 0.428 ' HB2' ' CZ2' ' B' ' 426' ' ' TRP . 20.9 ttmt -67.08 -55.54 15.73 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-O 119.166 -0.445 . . . . 0.0 110.543 174.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -67.43 170.79 12.85 Favored 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 122.926 2.418 . . . . 0.0 110.805 171.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -71.91 -3.8 24.56 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.249 0 CA-C-O 117.219 -1.878 . . . . 0.0 110.396 -179.784 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.493 0 C5'-C4'-C3' 110.045 -3.636 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.511 ' C6 ' ' HD2' ' B' ' 422' ' ' ARG . . . . . . . . 0 O4'--C4' 1.423 -2.467 0 O4'-C1'-N19 110.963 2.763 . 0.0 OUTLIER '7D dist 8d' 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ' G' . . . . . 0.438 " H4'" " H5'" ' A' ' 4' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 C5'-C4'-C3' 110.475 -3.35 . 0.585 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ' U' . . . . . 0.438 " H5'" " H4'" ' A' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.877 0 O4'-C1'-N19 111.339 3.139 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 C5'-C4'-C3' 110.295 -3.47 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.3 0 N-CA-C 111.539 -0.624 . . . . 0.0 111.539 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.26 163.2 38.77 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 123.937 3.092 . . . . 0.0 110.965 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 67.2 tp -69.77 -23.63 63.39 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.513 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 69.3 -164.95 50.05 Favored Glycine 0 CA--C 1.529 0.936 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 47.8 t -69.02 156.03 39.33 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 73.14 -157.52 52.31 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -152.7 161.24 42.83 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 122.536 0.334 . . . . 0.0 110.361 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -153.69 142.8 21.33 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 122.745 0.418 . . . . 0.0 109.966 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 422' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -144.72 155.35 43.51 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 123.113 0.565 . . . . 0.0 110.003 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -63.78 126.13 26.59 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 108.68 -9.35 34.81 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -59.74 155.67 15.47 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 117.889 0.845 . . . . 0.0 111.564 173.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 426' ' ' TRP . . . . . 0.426 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 53.2 p-90 -153.27 144.51 23.09 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.148 -177.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -93.89 149.81 20.91 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 49.7 t -61.55 130.35 91.96 Favored Pre-proline 0 N--CA 1.452 -0.36 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -73.89 -13.78 24.07 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 123.496 2.798 . . . . 0.0 111.631 -179.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -72.36 125.74 91.26 Favored Pre-proline 0 CA--C 1.532 0.271 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -68.34 -18.45 44.3 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 122.821 2.347 . . . . 0.0 110.548 178.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 1.9 p -89.45 0.27 56.98 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 175.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 42.3 t -119.8 -71.61 0.73 Allowed 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.09 0.556 . . . . 0.0 110.618 -176.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 54.38 17.97 1.74 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.847 0.859 . . . . 0.0 112.744 -177.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -68.61 149.59 48.98 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 176.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.4 tpt -90.73 127.44 36.32 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -115.4 145.75 42.25 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.129 0.49 . . . . 0.0 110.777 -175.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 438' ' ' PHE . . . . . 0.404 ' CE2' ' C4 ' ' A' ' 3' ' ' ' G' . 13.8 m-85 -71.05 159.27 35.04 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 178.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 40.7 t -63.29 -30.4 71.54 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -174.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 57.1 p-90 -80.07 -11.65 59.75 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -177.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -78.37 147.1 34.26 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 117.94 0.336 . . . . 0.0 110.362 174.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 442' ' ' ASN . . . . . 0.408 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 91.0 m-20 -113.22 -5.95 13.63 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 122.668 0.387 . . . . 0.0 110.61 174.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -141.66 159.31 42.48 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.234 0.614 . . . . 0.0 110.164 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 47.6 t -64.17 152.25 41.17 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 123.26 0.624 . . . . 0.0 110.802 -177.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -92.21 3.54 55.13 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 122.885 0.474 . . . . 0.0 109.914 -176.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -135.62 -32.81 0.89 Allowed 'General case' 0 C--O 1.233 0.202 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -172.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 26.4 p -130.59 3.43 4.58 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.601 0.36 . . . . 0.0 111.741 -177.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 96.6 mttt 56.49 18.35 3.48 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.9 0.88 . . . . 0.0 113.186 176.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.91 139.94 97.94 Favored Pre-proline 0 N--CA 1.454 -0.238 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.96 147.42 61.55 Favored 'Trans proline' 0 N--CA 1.449 -1.119 0 C-N-CA 122.95 2.434 . . . . 0.0 111.091 -176.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 451' ' ' LYS . . . . . 0.426 ' HE2' ' NE1' ' B' ' 426' ' ' TRP . 20.7 ttmt -65.89 -56.44 17.54 Favored Pre-proline 0 CA--C 1.535 0.382 0 CA-C-O 119.258 -0.401 . . . . 0.0 110.352 174.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -68.31 168.04 20.54 Favored 'Trans proline' 0 N--CA 1.449 -1.137 0 C-N-CA 122.85 2.366 . . . . 0.0 110.775 172.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -72.23 -4.22 28.21 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 CA-C-O 117.068 -1.962 . . . . 0.0 110.428 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.605 0 C5'-C4'-C3' 109.857 -3.762 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 N19-C1'-C2' 109.369 -2.519 . 0.01 8d . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ' G' . . . . . 0.404 ' C4 ' ' CE2' ' B' ' 438' ' ' PHE . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 O4'-C1'-N19 111.881 3.681 . 0.526 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C5'-C4'-C3' 110.538 -3.308 . 0.315 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.659 0 C5'-C4'-C3' 110.523 -3.318 . 0.068 1o . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.059 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -57.94 159.93 16.69 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 124.196 3.264 . . . . 0.0 111.877 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 80.5 mt -71.72 153.96 41.67 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.369 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -69.44 147.17 45.14 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 20.9 t 57.06 16.45 2.9 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.331 0.652 . . . . 0.0 111.824 -176.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 76.97 177.06 44.8 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -70.6 158.64 35.8 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 122.63 0.372 . . . . 0.0 110.282 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -151.92 140.27 20.48 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 116.799 -0.182 . . . . 0.0 110.625 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 422' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -142.57 156.24 45.08 Favored 'General case' 0 C--N 1.339 0.116 0 C-N-CA 123.676 0.791 . . . . 0.0 109.433 177.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -69.62 -1.25 8.36 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -173.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . -105.53 -6.41 38.39 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -61.39 160.66 10.5 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 122.849 0.46 . . . . 0.0 112.062 -178.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 426' ' ' TRP . . . . . 0.439 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 61.6 p-90 -152.84 139.22 18.53 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -89.4 146.6 24.56 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 48.6 t -61.04 131.03 91.77 Favored Pre-proline 0 N--CA 1.45 -0.472 0 C-N-CA 122.949 0.5 . . . . 0.0 109.922 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -73.07 -13.52 26.09 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.479 2.786 . . . . 0.0 111.226 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -71.02 124.6 91.29 Favored Pre-proline 0 CA--C 1.531 0.227 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -67.66 -17.31 47.85 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 122.56 2.174 . . . . 0.0 110.637 178.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.4 p -90.24 1.0 56.95 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 176.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 46.9 t -120.41 -68.65 0.89 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 122.926 0.491 . . . . 0.0 110.599 -176.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 52.47 21.46 1.77 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.854 0.862 . . . . 0.0 112.61 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -71.55 142.16 50.08 Favored 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 122.131 -0.355 . . . . 0.0 110.632 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -83.58 100.44 10.81 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.308 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -85.63 147.74 26.24 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 122.617 0.367 . . . . 0.0 110.61 -179.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -69.81 159.54 33.41 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 46.5 t -62.1 -31.97 72.48 Favored 'General case' 0 CA--C 1.527 0.089 0 C-N-CA 123.173 0.589 . . . . 0.0 112.107 -173.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 53.1 p-90 -81.71 -11.41 59.06 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -176.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -77.71 146.25 36.1 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 117.946 0.339 . . . . 0.0 110.749 176.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 442' ' ' ASN . . . . . 0.432 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 88.8 m-20 -112.12 -6.3 14.16 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 122.828 0.451 . . . . 0.0 110.319 174.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -139.98 159.26 42.58 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.212 0.605 . . . . 0.0 109.907 178.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 50.2 t -64.53 145.33 56.3 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.019 0.438 . . . . 0.0 110.575 -178.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -80.95 -1.81 45.18 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.928 -177.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -133.99 -31.32 1.15 Allowed 'General case' 0 C--O 1.233 0.2 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -171.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 24.9 p -129.88 4.27 4.94 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp 56.32 18.58 3.46 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 176.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.5 139.55 97.76 Favored Pre-proline 0 N--CA 1.454 -0.264 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 174.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.57 146.69 62.18 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.786 2.324 . . . . 0.0 111.137 -175.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 451' ' ' LYS . . . . . 0.439 ' HB2' ' CZ2' ' B' ' 426' ' ' TRP . 20.0 ttmt -66.63 -55.45 18.26 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.282 174.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 452' ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 49.2 Cg_endo -67.12 170.81 12.4 Favored 'Trans proline' 0 N--CA 1.45 -1.04 0 C-N-CA 122.823 2.349 . . . . 0.0 110.689 171.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -70.2 -4.14 20.24 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 117.082 -1.954 . . . . 0.0 110.419 179.569 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 1 O4'-C1'-N19 112.448 4.248 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.225 0 O4'-C1'-N19 110.765 2.565 . 0.0 OUTLIER '7D dist 8d' 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.533 0 O4'-C1'-N19 111.741 3.541 . 0.564 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 0 C5'-C4'-C3' 110.163 -3.558 . 0.111 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.717 1 O4'-C1'-N19 112.428 4.228 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.069 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -69.64 162.56 41.56 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 123.95 3.1 . . . . 0.0 110.613 178.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.77 153.24 42.39 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-O 120.755 0.312 . . . . 0.0 110.306 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -74.73 140.93 27.71 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 35.0 t -163.21 163.58 25.44 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 122.687 0.395 . . . . 0.0 110.186 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 104.37 5.7 42.6 Favored Glycine 0 CA--C 1.533 1.214 0 CA-C-O 119.715 -0.492 . . . . 0.0 112.122 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 -135.43 150.39 49.85 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 117.525 0.663 . . . . 0.0 110.175 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -157.78 138.21 12.8 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.896 0.478 . . . . 0.0 109.821 177.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 422' ' ' ARG . . . . . 0.501 ' HD2' ' C6 ' ' A' ' 2' ' ' ' G' . 93.4 mtt180 -144.34 152.97 41.49 Favored 'General case' 0 CA--C 1.522 -0.115 0 C-N-CA 122.641 0.376 . . . . 0.0 110.366 177.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -62.44 127.81 33.06 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 105.62 -7.52 42.55 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -55.83 150.34 13.2 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-N 117.584 0.692 . . . . 0.0 111.654 173.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 426' ' ' TRP . . . . . 0.427 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 58.5 p-90 -153.86 146.97 24.6 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.151 -176.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -95.63 148.5 22.47 Favored 'General case' 0 C--N 1.338 0.091 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.082 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 49.4 t -61.75 129.79 91.8 Favored Pre-proline 0 N--CA 1.449 -0.501 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.19 -13.46 23.37 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 123.622 2.881 . . . . 0.0 111.482 -178.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -71.95 125.02 91.67 Favored Pre-proline 0 N--CA 1.454 -0.265 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -179.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.69 -19.35 41.72 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 122.941 2.427 . . . . 0.0 110.54 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.3 p -89.29 0.44 56.8 Favored 'General case' 0 C--N 1.339 0.116 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 176.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 42.3 t -118.24 -68.77 0.89 Allowed 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 122.952 0.501 . . . . 0.0 110.543 -177.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 53.06 17.12 0.86 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.208 1.003 . . . . 0.0 112.799 -177.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -68.34 144.42 54.8 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 177.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.9 tpt -84.55 135.3 34.27 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 175.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -121.05 144.92 48.29 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 121.052 0.453 . . . . 0.0 110.88 -176.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -67.88 155.86 38.45 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 90.1 p -62.24 -27.63 69.13 Favored 'General case' 0 C--O 1.231 0.093 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -172.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -86.33 -9.02 57.22 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -176.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -78.64 147.44 33.6 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 175.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 442' ' ' ASN . . . . . 0.456 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 90.2 m-20 -112.8 -4.98 13.92 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 122.751 0.421 . . . . 0.0 110.608 174.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -142.34 159.6 41.92 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.043 0.537 . . . . 0.0 110.089 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 43.3 t -64.44 148.53 50.33 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 122.878 0.471 . . . . 0.0 110.238 -177.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -89.51 5.04 47.23 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.196 -0.457 . . . . 0.0 109.935 -176.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -136.85 -33.36 0.78 Allowed 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -172.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 27.8 p -129.39 3.93 5.14 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -178.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp 58.6 15.71 3.82 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.911 0.884 . . . . 0.0 112.693 176.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.99 140.95 98.26 Favored Pre-proline 0 CA--C 1.531 0.212 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 176.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.72 149.23 66.9 Favored 'Trans proline' 0 N--CA 1.449 -1.092 0 C-N-CA 123.106 2.537 . . . . 0.0 110.971 -176.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 451' ' ' LYS . . . . . 0.456 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.4 ttmt -67.33 -55.46 15.25 Favored Pre-proline 0 CA--C 1.535 0.393 0 C-N-CA 122.639 0.376 . . . . 0.0 110.295 173.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -68.44 178.4 3.8 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 122.978 2.452 . . . . 0.0 110.539 171.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 16.0 p30 -71.68 -6.48 41.41 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 CA-C-O 117.28 -1.845 . . . . 0.0 110.816 -179.724 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 C5'-C4'-C3' 110.076 -3.616 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.501 ' C6 ' ' HD2' ' B' ' 422' ' ' ARG . . . . . . . . 0 O4'--C4' 1.425 -2.312 0 O4'-C1'-N19 111.082 2.882 . 0.0 OUTLIER '7D dist 8d' 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.502 0 C5'-C4'-C3' 111.129 -2.914 . 0.397 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.299 0 C3'-C2'-C1' 103.901 2.668 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.742 0 C5'-C4'-C3' 111.693 -2.538 . 0.01 5j . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.237 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.13 163.96 35.75 Favored 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 123.901 3.068 . . . . 0.0 110.936 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -74.15 -2.78 26.11 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 77.13 -172.5 55.1 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.811 -0.516 . . . . 0.0 111.811 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 45.6 t -77.55 156.94 30.6 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 122.916 0.487 . . . . 0.0 110.586 -178.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . -79.5 -13.17 82.92 Favored Glycine 0 CA--C 1.529 0.936 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 176.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -77.11 156.42 31.68 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 117.56 0.68 . . . . 0.0 110.513 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -140.77 137.59 33.49 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.45 0.7 . . . . 0.0 109.553 175.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 422' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -143.83 155.04 43.99 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.031 0.532 . . . . 0.0 109.889 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -62.26 126.85 28.75 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -178.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 103.14 -8.2 53.12 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 177.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -56.8 154.07 9.8 Favored 'General case' 0 C--N 1.341 0.204 0 CA-C-N 117.677 0.738 . . . . 0.0 112.035 173.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 426' ' ' TRP . . . . . 0.438 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 60.2 p-90 -153.75 140.55 19.09 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.934 -177.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -88.24 148.89 24.13 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 36.4 t -63.45 130.8 94.54 Favored Pre-proline 0 N--CA 1.449 -0.502 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 178.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.9 -12.87 24.08 Favored 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 123.322 2.681 . . . . 0.0 111.805 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -71.6 125.5 91.73 Favored Pre-proline 0 CA--C 1.532 0.285 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -69.0 -19.23 40.02 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 122.729 2.286 . . . . 0.0 111.212 -178.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.6 p -89.92 -7.15 54.82 Favored 'General case' 0 C--N 1.338 0.104 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 176.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 41.9 t -106.8 -69.98 0.81 Allowed 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.03 0.532 . . . . 0.0 110.304 -176.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 53.01 17.55 0.93 Allowed 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.879 0.871 . . . . 0.0 112.768 -177.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -67.08 144.51 56.07 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 8.8 tpt -87.55 108.15 18.92 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -92.76 146.9 23.3 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.084 0.469 . . . . 0.0 110.996 -176.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -70.28 158.97 34.92 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 31.4 t -61.78 -32.98 73.29 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 123.046 0.538 . . . . 0.0 112.372 -173.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 53.3 p-90 -81.88 -9.39 59.61 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -175.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -80.08 151.77 29.7 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 117.915 0.325 . . . . 0.0 110.84 177.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 442' ' ' ASN . . . . . 0.475 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 91.3 m-20 -116.08 -6.8 11.93 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 122.869 0.468 . . . . 0.0 110.584 174.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -140.91 160.26 40.45 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.161 0.585 . . . . 0.0 109.746 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 44.2 t -64.69 150.05 47.93 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 122.874 0.47 . . . . 0.0 110.756 -177.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -92.35 4.23 53.8 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.344 -177.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -135.6 -32.63 0.9 Allowed 'General case' 0 C--N 1.341 0.2 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -172.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 26.2 p -131.51 3.47 4.22 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.542 0.337 . . . . 0.0 111.674 -178.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm 57.99 17.69 4.58 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 124.075 0.95 . . . . 0.0 113.152 176.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.68 140.49 97.43 Favored Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 176.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.06 149.45 65.0 Favored 'Trans proline' 0 N--CA 1.45 -1.054 0 C-N-CA 123.014 2.476 . . . . 0.0 111.004 -176.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 451' ' ' LYS . . . . . 0.475 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.3 ttmt -68.92 -56.1 9.68 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-O 119.288 -0.387 . . . . 0.0 110.36 174.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -67.74 168.99 17.01 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.92 2.413 . . . . 0.0 110.584 171.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -70.72 -12.11 61.35 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 117.475 -1.736 . . . . 0.0 110.972 -178.672 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.761 0 O4'-C1'-N19 111.79 3.59 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.493 0 C5'-C4'-C3' 111.633 -2.578 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.011 0 C5'-C4'-C3' 111.186 -2.876 . 0.039 7r . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.371 0 C5'-C4'-C3' 110.231 -3.513 . 0.095 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.296 0 C5'-C4'-C3' 110.266 -3.489 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.177 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.76 -12.47 26.52 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.76 2.973 . . . . 0.0 111.688 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 80.5 mt -71.66 157.66 37.55 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 121.032 0.444 . . . . 0.0 110.828 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -79.67 -3.35 88.98 Favored Glycine 0 CA--C 1.529 0.921 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 178.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 45.9 t -65.44 152.4 44.04 Favored 'General case' 0 C--N 1.339 0.148 0 CA-C-N 117.225 0.512 . . . . 0.0 110.493 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 175.19 -158.93 26.86 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 -178.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 54.67 28.73 10.45 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.423 0.689 . . . . 0.0 112.024 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -59.89 149.62 31.03 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.014 0.525 . . . . 0.0 110.358 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 422' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -131.57 151.8 51.3 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -70.81 -1.72 12.54 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -174.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . -102.14 -5.73 49.39 Favored Glycine 0 CA--C 1.529 0.935 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -62.3 160.73 12.64 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.022 0.529 . . . . 0.0 112.254 -178.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 426' ' ' TRP . . . . . 0.432 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 63.7 p-90 -152.29 138.43 18.28 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.754 0.311 . . . . 0.0 110.296 178.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -87.77 145.51 26.08 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -178.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 49.8 t -60.19 131.99 90.03 Favored Pre-proline 0 N--CA 1.449 -0.519 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 178.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.26 -14.06 25.6 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.429 2.753 . . . . 0.0 111.625 -178.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -70.79 124.92 91.8 Favored Pre-proline 0 CA--C 1.532 0.253 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.01 -16.35 49.25 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 122.623 2.215 . . . . 0.0 110.401 176.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 1.6 p -93.39 8.25 41.26 Favored 'General case' 0 C--O 1.231 0.08 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 176.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 46.3 t -127.99 -68.77 0.76 Allowed 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 122.959 0.503 . . . . 0.0 110.49 -177.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 52.39 20.03 1.31 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.181 0.992 . . . . 0.0 112.723 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -70.41 139.1 51.76 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 122.147 -0.346 . . . . 0.0 110.334 178.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.66 100.05 8.48 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 176.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -83.88 148.41 26.98 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.882 0.372 . . . . 0.0 110.928 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -68.76 157.33 36.6 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 43.1 t -62.34 -32.72 73.53 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -173.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -80.08 -11.43 59.76 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -176.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -78.43 146.94 34.22 Favored 'General case' 0 C--N 1.341 0.208 0 O-C-N 122.006 -0.434 . . . . 0.0 110.64 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 442' ' ' ASN . . . . . 0.459 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 89.8 m-20 -111.87 -5.57 14.36 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 122.715 0.406 . . . . 0.0 110.512 174.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -141.81 159.89 41.3 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.245 0.618 . . . . 0.0 109.84 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 51.5 t -65.25 147.65 53.07 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.58 -176.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -83.8 -1.64 54.7 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.975 -177.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -134.52 -35.93 0.88 Allowed 'General case' 0 CA--C 1.527 0.095 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -171.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 26.4 p -122.94 2.72 9.39 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.535 0.334 . . . . 0.0 111.769 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm 57.66 17.5 4.1 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.903 0.881 . . . . 0.0 113.21 175.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -66.27 141.83 97.5 Favored Pre-proline 0 CA--C 1.533 0.314 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 150.43 67.9 Favored 'Trans proline' 0 N--CA 1.449 -1.09 0 C-N-CA 123.116 2.544 . . . . 0.0 111.043 -175.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 451' ' ' LYS . . . . . 0.459 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 21.4 ttmt -67.78 -56.34 11.98 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-O 119.135 -0.46 . . . . 0.0 110.208 174.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -67.33 169.27 15.79 Favored 'Trans proline' 0 N--CA 1.455 -0.769 0 C-N-CA 122.719 2.279 . . . . 0.0 110.678 171.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -71.81 -3.94 25.06 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.28 0 CA-C-O 117.295 -1.836 . . . . 0.0 110.671 -179.533 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C5'-C4'-C3' 109.861 -3.759 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.56 HO2' " H5'" ' A' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.388 0 O4'-C1'-N19 110.609 2.409 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ' G' . . . . . 0.56 " H5'" HO2' ' A' ' 2' ' ' ' G' . . . . . . . . 0 P--O5' 1.618 2.478 1 O4'-C1'-N19 112.49 4.29 . 0.59 1[ . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.904 0 C1'-O4'-C4' 106.838 -3.069 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.647 1 C5'-C4'-C3' 109.493 -4.005 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.143 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.35 -12.19 33.1 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 123.748 2.965 . . . . 0.0 111.504 -178.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 75.2 mt -76.65 -6.17 50.94 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.663 0.385 . . . . 0.0 110.935 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 74.0 -174.18 49.5 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.319 -0.713 . . . . 0.0 111.319 -179.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 39.9 t -157.01 159.36 37.93 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 122.891 0.477 . . . . 0.0 109.937 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . -178.2 173.54 46.0 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -78.16 -8.97 58.95 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 122.602 0.361 . . . . 0.0 111.879 -179.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -60.3 151.27 28.04 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.544 0.337 . . . . 0.0 110.75 -177.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 422' ' ' ARG . . . . . 0.463 ' HD2' ' C6 ' ' A' ' 2' ' ' ' G' . 87.1 mtt180 -138.14 151.82 48.13 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-O 121.07 0.462 . . . . 0.0 110.638 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -63.13 126.62 27.99 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 105.96 -6.31 40.29 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -54.56 147.19 14.71 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 117.755 0.778 . . . . 0.0 111.479 173.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 426' ' ' TRP . . . . . 0.43 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 55.0 p-90 -152.91 144.55 23.47 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.413 -175.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -93.12 149.71 21.03 Favored 'General case' 0 CA--C 1.526 0.034 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 46.9 t -62.61 129.2 92.59 Favored Pre-proline 0 CA--C 1.535 0.392 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -74.05 -13.12 23.76 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 123.593 2.862 . . . . 0.0 111.615 -178.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -72.1 125.06 91.61 Favored Pre-proline 0 CA--C 1.533 0.295 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.21 -17.56 45.09 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.768 2.312 . . . . 0.0 110.797 178.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.5 p -90.43 -0.07 57.5 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 176.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 46.6 t -119.74 -68.26 0.92 Allowed 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.031 0.533 . . . . 0.0 110.352 -176.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 52.78 16.59 0.7 Allowed 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.088 0.955 . . . . 0.0 112.659 -178.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -68.79 145.36 53.85 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.5 tpt -85.23 133.89 34.16 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 177.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -120.43 144.87 47.72 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.745 0.307 . . . . 0.0 110.615 -176.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -71.69 158.1 36.76 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 94.4 p -61.25 -28.15 68.96 Favored 'General case' 0 C--O 1.231 0.082 0 C-N-CA 123.025 0.53 . . . . 0.0 112.4 -171.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 440' ' ' TRP . . . . . 0.469 ' CZ2' " H1'" ' A' ' 1' ' ' ' U' . 45.4 p-90 -86.6 -9.26 56.46 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -176.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -77.92 145.54 36.09 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 174.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 442' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -110.19 -6.84 14.96 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 122.699 0.4 . . . . 0.0 110.427 174.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -141.91 160.3 40.48 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.193 0.597 . . . . 0.0 110.156 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 49.2 t -64.14 148.77 49.17 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.251 -178.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -84.52 -0.84 54.56 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.065 -177.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -136.07 -34.55 0.8 Allowed 'General case' 0 C--O 1.232 0.141 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -171.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 28.9 p -123.4 3.08 9.11 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 122.63 0.372 . . . . 0.0 111.821 -179.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm 59.09 15.74 4.28 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.893 0.877 . . . . 0.0 112.977 175.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.92 139.92 97.94 Favored Pre-proline 0 CA--C 1.53 0.196 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.76 149.12 60.0 Favored 'Trans proline' 0 N--CA 1.451 -1.028 0 C-N-CA 122.733 2.288 . . . . 0.0 111.278 -176.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 451' ' ' LYS . . . . . 0.43 ' HE2' ' NE1' ' B' ' 426' ' ' TRP . 20.1 ttmt -67.76 -55.8 13.24 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-O 118.94 -0.552 . . . . 0.0 110.325 174.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -68.21 168.55 18.96 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.723 2.282 . . . . 0.0 110.576 172.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -71.53 -5.39 32.81 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.163 0 CA-C-O 117.257 -1.857 . . . . 0.0 110.398 -179.88 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ' U' . . . . . 0.469 " H1'" ' CZ2' ' B' ' 440' ' ' TRP . . . . . . . . 0 O4'--C4' 1.415 -3.205 1 O4'-C1'-N19 112.354 4.154 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.469 HO2' " C5'" ' A' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.916 0 N19-C1'-C2' 109.293 -2.567 . 0.539 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ' G' . . . . . 0.469 " C5'" HO2' ' A' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C5'-C4'-C3' 110.403 -3.398 . 0.457 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.091 0 C5'-C4'-C3' 110.442 -3.372 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C5'-C4'-C3' 111.442 -2.705 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.214 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -68.65 163.19 37.96 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 124.116 3.211 . . . . 0.0 110.913 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 67.9 tp -74.09 -22.0 59.67 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 122.465 0.306 . . . . 0.0 110.614 179.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -73.99 171.69 52.12 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 47.8 t -156.22 156.59 34.4 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 122.545 0.338 . . . . 0.0 110.293 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . -71.19 170.49 47.59 Favored Glycine 0 C--N 1.338 0.664 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -140.44 163.47 32.72 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.341 0.656 . . . . 0.0 110.089 -178.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -150.96 146.07 26.0 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 422' ' ' ARG . . . . . 0.517 ' HD2' ' C6 ' ' A' ' 2' ' ' ' G' . 91.9 mtt180 -137.68 153.33 49.82 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.269 0.628 . . . . 0.0 110.029 177.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -63.57 124.83 22.38 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 106.71 -7.45 38.95 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 178.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -56.59 150.23 15.96 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 117.854 0.827 . . . . 0.0 111.767 174.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 426' ' ' TRP . . . . . 0.433 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 57.2 p-90 -154.29 142.29 20.22 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.779 -175.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -93.73 147.45 23.03 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 49.5 t -60.21 131.49 89.93 Favored Pre-proline 0 N--CA 1.451 -0.423 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -73.7 -13.43 24.55 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 123.613 2.875 . . . . 0.0 111.564 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -70.88 124.85 91.69 Favored Pre-proline 0 CA--C 1.533 0.32 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.04 -17.33 51.03 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 122.718 2.279 . . . . 0.0 110.716 178.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.3 p -91.2 1.05 57.38 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 176.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 44.1 t -120.06 -68.44 0.91 Allowed 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 122.871 0.468 . . . . 0.0 110.813 -176.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 51.69 21.56 1.39 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.921 0.888 . . . . 0.0 112.688 -178.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -70.2 141.35 52.55 Favored 'General case' 0 N--CA 1.455 -0.222 0 O-C-N 122.221 -0.299 . . . . 0.0 110.359 178.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 4.3 tpt -82.64 103.2 11.99 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 177.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -90.59 147.33 23.4 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.967 0.413 . . . . 0.0 110.771 -178.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -72.27 157.27 38.02 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 90.6 p -60.4 -26.96 67.07 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -173.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 52.4 p-90 -87.17 -7.47 57.93 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -175.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 90.1 mtt-85 -82.0 148.19 28.79 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 117.626 0.194 . . . . 0.0 110.516 175.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 442' ' ' ASN . . . . . 0.469 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 90.7 m-20 -113.76 -6.06 13.29 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.442 174.249 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -139.2 160.08 40.65 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.491 0.716 . . . . 0.0 109.783 178.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 49.6 t -65.2 147.53 53.3 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 121.007 0.432 . . . . 0.0 110.087 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -87.89 2.29 51.89 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.142 -176.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -135.17 -31.48 0.99 Allowed 'General case' 0 C--O 1.232 0.139 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -171.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 26.7 p -132.68 4.17 3.88 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 122.45 0.3 . . . . 0.0 111.773 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp 56.66 17.79 3.31 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.09 140.29 97.86 Favored Pre-proline 0 N--CA 1.454 -0.247 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 174.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -69.47 149.58 68.89 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 123.104 2.536 . . . . 0.0 110.833 -175.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 451' ' ' LYS . . . . . 0.469 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.8 ttmt -67.99 -55.27 13.74 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-O 119.077 -0.487 . . . . 0.0 110.093 174.154 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 452' ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 51.1 Cg_endo -68.5 178.55 3.7 Favored 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 122.978 2.452 . . . . 0.0 110.949 171.237 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 18.1 p30 -71.06 -6.01 35.82 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.17 0 CA-C-O 116.929 -2.039 . . . . 0.0 110.93 -178.909 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.794 0 O4'-C1'-N19 112.004 3.804 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.517 ' C6 ' ' HD2' ' B' ' 422' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 O4'-C1'-N19 111.322 3.122 . 0.0 OUTLIER '7D dist 8d' 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.623 0 O4'-C1'-N19 112.061 3.861 . 0.522 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.806 0 C5'-C4'-C3' 110.054 -3.631 . 0.383 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C5'-C4'-C3' 111.488 -2.675 . 0.318 5p . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.083 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -69.24 168.68 20.18 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.868 3.045 . . . . 0.0 110.788 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 63.2 tp -65.45 152.73 43.25 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -72.41 -168.87 11.99 Favored Glycine 0 CA--C 1.529 0.91 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 91.6 p -67.88 -12.12 60.03 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 122.66 0.384 . . . . 0.0 111.472 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 69.79 -162.02 52.62 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 177.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -153.87 154.3 33.64 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 22.7 pt20 -142.69 147.69 36.09 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 422' ' ' ARG . . . . . 0.483 ' HD2' ' C6 ' ' A' ' 2' ' ' ' G' . 92.1 mtt180 -143.26 152.21 41.44 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 123.402 0.681 . . . . 0.0 109.911 177.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -62.47 126.19 26.49 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 105.12 -5.81 42.37 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.549 -0.62 . . . . 0.0 111.549 178.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -59.81 155.93 15.18 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 117.799 0.8 . . . . 0.0 111.662 172.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 426' ' ' TRP . . . . . 0.424 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 56.0 p-90 -154.07 143.88 21.79 Favored 'General case' 0 CA--C 1.524 -0.036 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.337 -176.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -92.81 148.76 21.76 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 49.3 t -61.32 129.8 91.19 Favored Pre-proline 0 N--CA 1.452 -0.348 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.96 -13.21 23.96 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 123.552 2.835 . . . . 0.0 111.628 -179.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -72.5 124.26 90.57 Favored Pre-proline 0 N--CA 1.455 -0.195 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.27 -18.3 50.31 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 122.574 2.183 . . . . 0.0 110.625 177.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.3 p -89.45 1.04 56.41 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 176.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 46.5 t -121.71 -68.96 0.86 Allowed 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.007 0.523 . . . . 0.0 110.56 -176.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 52.8 17.13 0.79 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.27 1.028 . . . . 0.0 112.871 -178.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -68.11 145.94 53.93 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 177.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.3 tpt -85.68 128.47 34.79 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -115.82 144.73 43.6 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.882 0.372 . . . . 0.0 110.67 -176.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -71.5 157.8 37.38 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 29.6 t -61.65 -31.36 71.46 Favored 'General case' 0 C--O 1.231 0.1 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -173.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 50.9 p-90 -79.85 -9.06 59.62 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -177.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -80.93 151.18 28.68 Favored 'General case' 0 C--N 1.338 0.106 0 CA-C-N 118.107 0.412 . . . . 0.0 110.65 175.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 442' ' ' ASN . . . . . 0.491 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 89.2 m-20 -118.24 -7.58 10.73 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.71 0.404 . . . . 0.0 110.252 174.37 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 29.9 mp0 -136.64 157.83 45.85 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.592 0.757 . . . . 0.0 109.819 178.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 44.8 t -64.54 147.76 52.16 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 122.829 0.452 . . . . 0.0 110.534 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -81.51 -2.51 50.09 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 122.756 0.423 . . . . 0.0 111.407 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -134.48 -40.18 0.8 Allowed 'General case' 0 C--N 1.342 0.259 0 CA-C-N 118.1 0.409 . . . . 0.0 112.045 -172.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 27.2 p -114.81 0.57 13.84 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.397 0.279 . . . . 0.0 111.5 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 95.7 mttt 57.39 19.02 4.8 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.069 0.948 . . . . 0.0 112.678 177.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.34 140.41 97.76 Favored Pre-proline 0 N--CA 1.454 -0.246 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 175.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.1 149.1 64.27 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.037 2.491 . . . . 0.0 110.772 -176.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 451' ' ' LYS . . . . . 0.491 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.8 ttmt -67.51 -55.95 13.57 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-O 119.166 -0.445 . . . . 0.0 110.607 174.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -68.49 171.47 12.96 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 123.062 2.508 . . . . 0.0 110.161 172.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -71.35 -5.05 29.59 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.135 0 CA-C-O 117.323 -1.821 . . . . 0.0 110.713 179.858 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.356 0 O4'-C1'-N19 111.371 3.171 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.483 ' C6 ' ' HD2' ' B' ' 422' ' ' ARG . . . . . . . . 0 O4'--C4' 1.425 -2.308 0 O4'-C1'-N19 111.295 3.095 . 0.01 8d . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ' G' . . . . . 0.42 " C5'" HO2' ' A' ' 2' ' ' ' G' . . . . . . . . 0 P--O5' 1.619 2.619 0 O4'-C1'-N19 111.773 3.573 . 0.499 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C5'-C4'-C3' 109.552 -3.965 . 0.419 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.095 1 O4'-C1'-N19 112.345 4.145 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 426' ' ' TRP . . . . . 0.429 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 59.9 p-90 . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.653 0.263 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -95.9 147.74 23.35 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -178.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 428' ' ' CYS . . . . . 0.48 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 49.8 t -61.85 130.09 92.19 Favored Pre-proline 0 N--CA 1.452 -0.372 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.8 -13.49 21.88 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 123.421 2.747 . . . . 0.0 111.562 -178.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -70.91 124.88 91.76 Favored Pre-proline 0 CA--C 1.534 0.33 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.97 -17.34 46.29 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 122.636 2.224 . . . . 0.0 110.623 177.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.3 p -90.2 0.74 57.04 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 176.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 433' ' ' CYS . . . . . 0.499 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 48.1 t -121.94 -69.74 0.82 Allowed 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.093 0.557 . . . . 0.0 110.606 -175.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 53.07 17.08 0.85 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.017 0.927 . . . . 0.0 112.749 -177.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -69.58 145.47 52.52 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.7 tpt -84.33 136.54 33.86 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.903 -0.776 . . . . 0.0 108.903 177.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -123.09 145.27 48.71 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.853 0.359 . . . . 0.0 110.992 -175.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -65.03 154.2 38.46 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.11 -0.496 . . . . 0.0 112.067 178.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 39.0 t -62.3 -32.02 72.7 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -173.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 56.9 p-90 -80.37 -9.44 59.75 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -176.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -78.18 147.1 34.65 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 117.894 0.315 . . . . 0.0 110.477 175.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 442' ' ' ASN . . . . . 0.446 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 90.3 m-20 -111.93 -5.47 14.34 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 122.602 0.361 . . . . 0.0 110.783 174.68 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -141.77 159.84 41.41 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.013 0.525 . . . . 0.0 110.202 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 444' ' ' CYS . . . . . 0.499 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 50.9 t -63.58 147.74 50.67 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.646 -177.17 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -81.09 -3.12 50.92 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -177.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -135.41 -37.93 0.76 Allowed 'General case' 0 C--N 1.342 0.272 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -171.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 447' ' ' CYS . . . . . 0.48 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 28.9 p -118.23 3.03 12.0 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -178.098 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp 58.41 15.87 3.77 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.875 0.87 . . . . 0.0 112.741 176.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.79 140.16 97.19 Favored Pre-proline 0 CA--C 1.53 0.203 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.59 149.05 67.45 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.949 2.433 . . . . 0.0 111.089 -176.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 451' ' ' LYS . . . . . 0.446 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.2 ttmt -67.37 -55.22 15.72 Favored Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.478 174.391 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 452' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 49.5 Cg_endo . . . . . 0 N--CA 1.452 -0.936 0 C-N-CA 122.815 2.344 . . . . 0.0 110.695 172.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 426' ' ' TRP . . . . . 0.433 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 65.1 p-90 . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.89 0.376 . . . . 0.0 110.53 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -89.51 145.57 25.2 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 428' ' ' CYS . . . . . 0.465 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 49.0 t -60.45 131.04 90.38 Favored Pre-proline 0 N--CA 1.452 -0.374 0 C-N-CA 122.707 0.403 . . . . 0.0 109.941 179.058 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.65 -13.92 27.24 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.661 2.907 . . . . 0.0 111.541 -178.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -71.13 125.13 91.94 Favored Pre-proline 0 CA--C 1.532 0.279 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -67.25 -18.27 50.43 Favored 'Trans proline' 0 N--CA 1.451 -0.986 0 C-N-CA 122.715 2.277 . . . . 0.0 110.948 178.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 1.9 p -90.43 1.39 56.68 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 176.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 433' ' ' CYS . . . . . 0.507 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 42.6 t -120.06 -70.05 0.81 Allowed 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 122.914 0.486 . . . . 0.0 110.38 -176.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 52.9 20.6 1.7 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.797 0.839 . . . . 0.0 112.629 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -70.51 142.32 51.86 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 122.238 -0.289 . . . . 0.0 110.34 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -83.21 100.23 10.45 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 176.278 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -85.49 147.75 26.3 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.639 0.256 . . . . 0.0 110.42 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -71.14 158.42 36.48 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 48.4 t -61.33 -28.84 69.5 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -171.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 48.2 p-90 -83.77 -10.55 58.01 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -176.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -78.68 148.04 33.29 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 118.122 0.419 . . . . 0.0 110.282 176.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 442' ' ' ASN . . . . . 0.513 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 88.2 m-20 -113.98 -7.7 13.11 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 122.651 0.38 . . . . 0.0 110.394 173.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 28.5 mp0 -135.43 157.82 45.92 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.629 0.772 . . . . 0.0 109.805 178.009 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 444' ' ' CYS . . . . . 0.507 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 49.8 t -64.69 148.71 50.49 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.309 -178.164 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -90.64 3.95 52.75 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.177 -176.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -136.62 -32.95 0.81 Allowed 'General case' 0 C--N 1.341 0.212 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -171.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 447' ' ' CYS . . . . . 0.465 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 27.0 p -130.55 3.81 4.61 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.591 0.357 . . . . 0.0 111.883 -179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt 58.32 17.4 4.69 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.129 0.971 . . . . 0.0 113.195 175.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -66.49 141.57 97.18 Favored Pre-proline 0 CA--C 1.53 0.204 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.22 149.67 70.6 Favored 'Trans proline' 0 N--CA 1.449 -1.138 0 C-N-CA 123.215 2.61 . . . . 0.0 111.054 -176.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 451' ' ' LYS . . . . . 0.513 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 19.4 ttmt -68.49 -55.13 12.47 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-O 119.197 -0.43 . . . . 0.0 110.485 174.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 452' ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 47.2 Cg_endo . . . . . 0 N--CA 1.449 -1.124 0 C-N-CA 122.882 2.388 . . . . 0.0 110.411 171.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 426' ' ' TRP . . . . . 0.425 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 67.8 p-90 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -84.37 143.96 29.12 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.746 -0.206 . . . . 0.0 110.527 -176.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 428' ' ' CYS . . . . . 0.477 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 46.9 t -62.19 131.74 93.66 Favored Pre-proline 0 N--CA 1.449 -0.478 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 177.587 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.49 -12.76 27.37 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.4 2.733 . . . . 0.0 111.704 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -72.84 124.37 90.66 Favored Pre-proline 0 CA--C 1.533 0.318 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -66.66 -17.89 53.09 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 122.764 2.309 . . . . 0.0 110.715 177.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 1.7 p -90.02 2.11 55.55 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 175.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 433' ' ' CYS . . . . . 0.493 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 47.4 t -121.96 -68.68 0.88 Allowed 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 122.929 0.491 . . . . 0.0 110.505 -176.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 52.49 19.5 1.2 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.905 0.882 . . . . 0.0 112.628 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -71.42 137.14 48.07 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 122.258 -0.276 . . . . 0.0 110.27 178.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 1.1 ttm -81.55 108.32 15.03 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 173.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -87.47 149.52 24.36 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.132 0.573 . . . . 0.0 110.702 -178.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -63.17 153.92 32.88 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 178.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 92.2 p -61.95 -26.19 68.05 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -173.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 58.3 p-90 -88.97 -8.98 53.1 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -176.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -77.79 147.06 35.46 Favored 'General case' 0 C--N 1.339 0.111 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 176.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 442' ' ' ASN . . . . . 0.458 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 89.6 m-20 -111.43 -5.77 14.55 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 122.598 0.359 . . . . 0.0 110.604 175.11 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -141.75 159.27 42.57 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.069 0.548 . . . . 0.0 109.724 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 444' ' ' CYS . . . . . 0.493 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 51.5 t -64.58 146.82 54.06 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.137 0.494 . . . . 0.0 110.083 -176.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -88.15 2.86 51.14 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.039 -176.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -136.05 -32.06 0.89 Allowed 'General case' 0 C--N 1.339 0.12 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -170.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 447' ' ' CYS . . . . . 0.477 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 26.0 p -131.49 4.41 4.29 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 58.06 17.56 4.54 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.129 0.972 . . . . 0.0 113.379 175.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -66.7 141.61 97.02 Favored Pre-proline 0 N--CA 1.453 -0.29 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 175.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.89 149.96 66.8 Favored 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 123.01 2.473 . . . . 0.0 111.243 -176.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 451' ' ' LYS . . . . . 0.458 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.3 ttmt -68.27 -55.42 12.61 Favored Pre-proline 0 CA--C 1.532 0.278 0 C-N-CA 122.88 0.472 . . . . 0.0 110.129 174.229 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 452' ' ' PRO . . . . . 0.408 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 44.8 Cg_endo . . . . . 0 N--CA 1.452 -0.945 0 C-N-CA 122.526 2.151 . . . . 0.0 110.631 170.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 426' ' ' TRP . . . . . 0.441 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 57.6 p-90 . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 120.973 0.415 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -93.75 149.11 21.5 Favored 'General case' 0 C--N 1.34 0.157 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 428' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 45.4 t -62.01 130.55 92.78 Favored Pre-proline 0 N--CA 1.448 -0.529 0 C-N-CA 122.703 0.401 . . . . 0.0 110.12 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -74.38 -13.14 22.98 Favored 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 123.669 2.912 . . . . 0.0 111.637 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -71.94 125.19 91.63 Favored Pre-proline 0 N--CA 1.454 -0.235 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -67.89 -17.73 46.75 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.891 2.394 . . . . 0.0 110.866 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.0 p -90.87 0.35 57.51 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 176.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 433' ' ' CYS . . . . . 0.481 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 42.5 t -119.67 -68.51 0.91 Allowed 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 122.982 0.513 . . . . 0.0 110.629 -176.22 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 52.36 17.5 0.76 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.015 0.926 . . . . 0.0 112.757 -178.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -68.23 145.33 54.38 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 177.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 9.9 tpt -86.04 127.44 34.66 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 176.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -114.46 145.22 42.16 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.151 0.501 . . . . 0.0 110.758 -176.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -70.75 158.74 35.78 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -179.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 32.9 t -62.28 -30.52 71.19 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.045 0.538 . . . . 0.0 112.154 -173.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -82.08 -9.6 59.49 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 112.837 0.681 . . . . 0.0 112.837 -177.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -80.14 148.19 31.04 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-N 117.86 0.3 . . . . 0.0 110.56 175.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 442' ' ' ASN . . . . . 0.512 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 90.6 m-20 -115.73 -6.92 12.13 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.575 174.072 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 31.5 mp0 -136.04 157.84 45.86 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.487 0.715 . . . . 0.0 109.547 177.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 444' ' ' CYS . . . . . 0.481 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 52.2 t -63.02 146.97 52.03 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 122.783 0.433 . . . . 0.0 110.014 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -87.06 3.65 45.23 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.117 -176.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -136.84 -33.81 0.76 Allowed 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -171.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 447' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 28.5 p -128.28 5.21 5.77 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -178.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm 57.98 16.43 3.73 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.851 0.86 . . . . 0.0 113.081 176.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.62 140.84 97.63 Favored Pre-proline 0 CA--C 1.533 0.325 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 176.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -70.12 147.99 61.78 Favored 'Trans proline' 0 N--CA 1.448 -1.152 0 C-N-CA 123.213 2.609 . . . . 0.0 110.819 -176.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 451' ' ' LYS . . . . . 0.512 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 19.4 ttmt -68.55 -56.48 9.94 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-O 119.061 -0.495 . . . . 0.0 110.477 174.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 N--CA 1.455 -0.789 0 C-N-CA 122.905 2.404 . . . . 0.0 110.971 172.676 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 426' ' ' TRP . . . . . 0.423 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 57.0 p-90 . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 120.818 0.342 . . . . 0.0 111.339 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -88.03 148.42 24.52 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 428' ' ' CYS . . . . . 0.473 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 49.1 t -62.73 130.06 93.44 Favored Pre-proline 0 N--CA 1.447 -0.577 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.65 -13.86 24.64 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 123.229 2.619 . . . . 0.0 111.552 -178.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -72.24 124.75 91.25 Favored Pre-proline 0 CA--C 1.534 0.336 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -68.44 -17.41 43.88 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 122.806 2.337 . . . . 0.0 110.59 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.5 p -91.39 0.72 57.47 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 176.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 433' ' ' CYS . . . . . 0.503 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 42.4 t -119.41 -68.95 0.88 Allowed 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.184 0.593 . . . . 0.0 110.681 -176.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 53.08 17.99 1.05 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.869 0.868 . . . . 0.0 113.031 -177.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -65.66 140.3 58.47 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 9.6 tpt -86.08 105.85 16.8 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -90.57 147.89 23.04 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.818 0.342 . . . . 0.0 111.483 -175.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -69.39 156.49 38.74 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 178.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 91.7 p -62.29 -29.13 70.21 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -173.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 55.8 p-90 -84.64 -9.0 58.67 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -175.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -80.03 149.31 30.76 Favored 'General case' 0 N--CA 1.457 -0.089 0 O-C-N 122.296 -0.253 . . . . 0.0 110.566 175.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 442' ' ' ASN . . . . . 0.49 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 88.2 m-20 -114.71 -7.43 12.7 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 123.242 0.339 . . . . 0.0 110.619 174.042 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 30.2 mp0 -136.91 157.6 46.37 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.594 0.758 . . . . 0.0 110.025 178.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 444' ' ' CYS . . . . . 0.503 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 50.3 t -64.35 147.16 53.16 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 122.834 0.453 . . . . 0.0 110.367 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -84.46 -1.32 55.49 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.209 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -134.26 -33.63 1.0 Allowed 'General case' 0 C--N 1.339 0.12 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -172.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 447' ' ' CYS . . . . . 0.473 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 27.9 p -124.69 2.42 8.22 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 96.4 mttt 58.06 17.6 4.57 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.906 0.883 . . . . 0.0 112.801 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.7 140.16 97.96 Favored Pre-proline 0 N--CA 1.453 -0.294 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 175.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.29 148.78 62.4 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 122.94 2.427 . . . . 0.0 110.806 -176.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 451' ' ' LYS . . . . . 0.49 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.0 ttmt -67.86 -55.84 12.89 Favored Pre-proline 0 CA--C 1.539 0.525 0 CA-C-O 119.038 -0.506 . . . . 0.0 110.469 174.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 452' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 51.8 Cg_endo . . . . . 0 N--CA 1.452 -0.924 0 C-N-CA 122.665 2.244 . . . . 0.0 110.623 172.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 426' ' ' TRP . . . . . 0.438 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 61.9 p-90 . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.642 0.258 . . . . 0.0 110.732 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -96.47 147.12 24.17 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.303 -177.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 428' ' ' CYS . . . . . 0.467 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 49.8 t -61.92 129.63 91.92 Favored Pre-proline 0 N--CA 1.447 -0.598 0 C-N-CA 122.697 0.399 . . . . 0.0 110.051 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.52 -13.66 22.52 Favored 'Trans proline' 0 N--CA 1.451 -0.982 0 C-N-CA 123.441 2.76 . . . . 0.0 111.594 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -71.06 124.6 91.28 Favored Pre-proline 0 N--CA 1.452 -0.364 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.41 -17.38 44.04 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 122.55 2.166 . . . . 0.0 110.79 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.7 p -90.53 -0.45 57.67 Favored 'General case' 0 CA--C 1.527 0.066 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 175.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 433' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 42.1 t -118.91 -68.67 0.9 Allowed 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.822 0.449 . . . . 0.0 110.466 -176.425 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 52.5 17.61 0.81 Allowed 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.84 0.856 . . . . 0.0 112.825 -177.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -68.04 145.57 54.34 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.5 tpt -85.8 138.4 32.1 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 176.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -124.08 145.58 49.16 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.694 0.283 . . . . 0.0 110.872 -175.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -68.89 159.16 33.12 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 42.8 t -62.62 -31.4 72.24 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -172.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 52.4 p-90 -81.75 -11.84 58.84 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -176.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -76.38 145.89 39.1 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-N 117.938 0.335 . . . . 0.0 110.484 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 442' ' ' ASN . . . . . 0.448 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 90.2 m-20 -112.32 -5.72 14.12 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 122.784 0.434 . . . . 0.0 110.554 174.446 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -141.47 160.06 40.93 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.89 0.476 . . . . 0.0 110.007 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 444' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 42.1 t -65.3 151.49 46.08 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 123.146 0.578 . . . . 0.0 110.298 -178.357 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -92.22 4.64 52.83 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.278 -177.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -136.11 -33.84 0.82 Allowed 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -173.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 447' ' ' CYS . . . . . 0.467 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 27.5 p -128.13 4.03 5.83 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -178.495 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 58.34 15.07 3.21 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.844 0.858 . . . . 0.0 112.892 176.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.35 140.77 97.86 Favored Pre-proline 0 N--CA 1.455 -0.224 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 177.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.64 150.09 68.47 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.077 2.518 . . . . 0.0 110.898 -176.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 451' ' ' LYS . . . . . 0.448 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.8 ttmt -66.3 -55.43 20.13 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-O 119.163 -0.446 . . . . 0.0 110.471 173.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 452' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 47.3 Cg_endo . . . . . 0 N--CA 1.451 -0.99 0 C-N-CA 122.705 2.27 . . . . 0.0 110.656 171.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 426' ' ' TRP . . . . . 0.419 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 60.2 p-90 . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.554 0.216 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -90.53 148.43 22.72 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 428' ' ' CYS . . . . . 0.462 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 49.6 t -63.18 129.8 93.72 Favored Pre-proline 0 N--CA 1.452 -0.33 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.293 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.4 -14.38 25.23 Favored 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 123.436 2.757 . . . . 0.0 111.391 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -71.07 124.86 91.71 Favored Pre-proline 0 CA--C 1.532 0.261 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.92 -18.11 46.63 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 122.698 2.265 . . . . 0.0 110.726 178.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.1 p -90.28 0.19 57.34 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 176.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 433' ' ' CYS . . . . . 0.48 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 42.4 t -118.64 -69.38 0.85 Allowed 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.025 0.53 . . . . 0.0 110.294 -176.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 53.96 16.05 1.01 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.025 0.93 . . . . 0.0 112.489 -178.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -69.15 145.76 53.03 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 9.8 tpt -85.26 132.79 34.21 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 176.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -117.33 145.3 44.11 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.067 0.46 . . . . 0.0 110.643 -177.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -68.18 155.76 38.96 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -178.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 89.2 p -62.02 -26.54 68.3 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.099 0.56 . . . . 0.0 112.431 -173.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 57.8 p-90 -87.12 -8.6 56.84 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -176.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -81.11 151.59 28.22 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 117.729 0.24 . . . . 0.0 110.51 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 442' ' ' ASN . . . . . 0.484 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 90.7 m-20 -116.16 -4.96 11.9 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.768 0.427 . . . . 0.0 110.535 174.312 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -141.56 159.4 42.29 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.254 0.622 . . . . 0.0 109.736 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 444' ' ' CYS . . . . . 0.48 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 45.8 t -63.91 149.01 48.11 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 122.882 0.473 . . . . 0.0 110.384 -177.252 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -89.45 3.71 51.46 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.106 -176.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -136.9 -32.49 0.8 Allowed 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -172.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 447' ' ' CYS . . . . . 0.462 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 28.0 p -129.75 3.31 4.95 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 96.1 mttt 57.64 18.12 4.5 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.903 0.881 . . . . 0.0 112.927 176.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.58 140.65 97.59 Favored Pre-proline 0 CA--C 1.531 0.212 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 175.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.9 148.05 63.35 Favored 'Trans proline' 0 N--CA 1.45 -1.036 0 C-N-CA 122.985 2.457 . . . . 0.0 111.259 -176.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 451' ' ' LYS . . . . . 0.484 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 19.1 ttmt -68.18 -55.9 11.92 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-O 119.097 -0.478 . . . . 0.0 110.64 174.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 N--CA 1.451 -1.027 0 C-N-CA 122.814 2.342 . . . . 0.0 110.685 172.515 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 426' ' ' TRP . . . . . 0.431 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 57.9 p-90 . . . . . 0 N--CA 1.455 -0.182 0 CA-C-O 120.737 0.304 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -93.07 147.13 23.11 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -178.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 428' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 49.2 t -59.62 131.13 88.38 Favored Pre-proline 0 N--CA 1.449 -0.492 0 C-N-CA 122.875 0.47 . . . . 0.0 110.351 179.484 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.44 -13.27 27.7 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.46 2.773 . . . . 0.0 111.531 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -72.16 125.06 91.59 Favored Pre-proline 0 CA--C 1.531 0.231 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -67.58 -16.83 47.8 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.754 2.303 . . . . 0.0 110.755 177.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.8 p -91.34 1.32 57.2 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 176.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 433' ' ' CYS . . . . . 0.51 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 42.5 t -120.13 -68.98 0.87 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.109 0.564 . . . . 0.0 110.416 -176.439 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 52.32 21.31 1.65 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.879 0.872 . . . . 0.0 112.666 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -71.19 138.08 49.24 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.984 -0.448 . . . . 0.0 110.06 178.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 2.6 tpt -80.39 100.59 8.54 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 176.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -86.63 147.46 25.9 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.867 0.365 . . . . 0.0 111.216 -177.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 13.6 m-30 -67.84 157.17 35.45 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 177.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 29.9 t -62.86 -33.12 74.6 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 123.099 0.56 . . . . 0.0 112.378 -173.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 58.2 p-90 -79.72 -10.85 59.85 Favored 'General case' 0 C--O 1.23 0.038 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -176.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -78.71 144.27 35.44 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-N 117.96 0.345 . . . . 0.0 110.23 176.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 442' ' ' ASN . . . . . 0.482 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 91.2 m-20 -110.73 -4.85 15.14 Favored 'General case' 0 C--O 1.23 0.064 0 C-N-CA 122.54 0.336 . . . . 0.0 110.458 174.321 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -140.87 159.3 42.51 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.186 0.594 . . . . 0.0 109.609 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 444' ' ' CYS . . . . . 0.51 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 42.2 t -64.32 149.13 48.78 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.454 -176.627 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -89.49 3.38 52.59 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.885 -177.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -135.71 -33.45 0.86 Allowed 'General case' 0 CA--C 1.528 0.111 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -172.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 447' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 25.8 p -131.07 6.34 4.57 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -177.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp 57.68 16.22 3.34 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.09 0.956 . . . . 0.0 113.057 176.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.83 140.2 97.16 Favored Pre-proline 0 CA--C 1.531 0.234 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 176.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.72 149.19 66.84 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 122.992 2.461 . . . . 0.0 110.981 -176.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 451' ' ' LYS . . . . . 0.482 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 21.1 ttmt -67.37 -56.36 12.91 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-O 119.15 -0.452 . . . . 0.0 110.195 174.334 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 452' ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 46.7 Cg_endo . . . . . 0 N--CA 1.451 -1.019 0 C-N-CA 122.686 2.257 . . . . 0.0 110.45 172.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 426' ' ' TRP . . . . . 0.43 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 63.4 p-90 . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.798 0.332 . . . . 0.0 110.608 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -89.46 146.08 24.87 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 428' ' ' CYS . . . . . 0.461 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 43.9 t -60.29 131.4 90.09 Favored Pre-proline 0 N--CA 1.447 -0.582 0 C-N-CA 122.839 0.455 . . . . 0.0 110.26 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -72.72 -13.21 26.97 Favored 'Trans proline' 0 N--CA 1.451 -1.027 0 C-N-CA 123.605 2.87 . . . . 0.0 111.716 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -71.87 125.17 91.66 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.52 -18.25 48.91 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 122.672 2.248 . . . . 0.0 110.714 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.1 p -90.32 0.76 57.1 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 176.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 433' ' ' CYS . . . . . 0.504 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 42.7 t -118.5 -69.09 0.87 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.403 0.681 . . . . 0.0 110.47 -176.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 51.92 21.06 1.36 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.858 0.863 . . . . 0.0 112.793 -178.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -71.71 140.72 49.71 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 122.037 -0.415 . . . . 0.0 110.023 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -82.63 99.7 9.74 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 176.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -85.09 148.01 26.36 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.917 0.389 . . . . 0.0 110.57 -178.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -68.86 156.06 39.13 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 91.1 p -61.76 -26.91 68.37 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -172.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 57.0 p-90 -86.96 -9.64 55.14 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -176.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -79.69 147.07 32.1 Favored 'General case' 0 C--N 1.338 0.073 0 CA-C-N 117.81 0.277 . . . . 0.0 110.389 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 442' ' ' ASN . . . . . 0.489 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 89.3 m-20 -111.92 -5.08 14.38 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 122.762 0.425 . . . . 0.0 110.7 173.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -140.08 158.43 44.06 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.309 0.644 . . . . 0.0 109.574 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 444' ' ' CYS . . . . . 0.504 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 48.7 t -64.67 149.55 48.84 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 122.796 0.438 . . . . 0.0 110.676 -176.566 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -92.49 7.49 42.9 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.196 -176.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -137.81 -33.59 0.71 Allowed 'General case' 0 C--N 1.339 0.146 0 O-C-N 122.394 -0.191 . . . . 0.0 111.491 -174.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 447' ' ' CYS . . . . . 0.461 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 25.7 p -131.29 4.38 4.36 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 122.738 0.415 . . . . 0.0 111.872 -178.532 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 67.6 mttm 57.46 17.51 3.9 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.941 0.897 . . . . 0.0 113.349 175.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.79 142.29 98.08 Favored Pre-proline 0 N--CA 1.453 -0.284 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 175.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.25 147.73 60.32 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.082 2.522 . . . . 0.0 111.231 -176.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 451' ' ' LYS . . . . . 0.489 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 19.8 ttmt -66.92 -57.07 12.13 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-O 118.91 -0.567 . . . . 0.0 110.495 175.146 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 452' ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 52.6 Cg_endo . . . . . 0 N--CA 1.452 -0.952 0 C-N-CA 122.799 2.333 . . . . 0.0 110.528 173.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 426' ' ' TRP . . . . . 0.431 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 67.0 p-90 . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 120.29 0.09 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -86.61 144.85 26.98 Favored 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 428' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 48.5 t -62.25 130.75 93.28 Favored Pre-proline 0 N--CA 1.448 -0.557 0 C-N-CA 123.123 0.569 . . . . 0.0 109.776 178.054 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.81 -13.11 26.74 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.816 3.011 . . . . 0.0 111.783 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -72.11 125.2 91.56 Favored Pre-proline 0 CA--C 1.535 0.376 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.51 -17.21 48.6 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.717 2.278 . . . . 0.0 110.66 177.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.6 p -91.47 0.52 57.5 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 176.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 433' ' ' CYS . . . . . 0.51 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 43.9 t -119.84 -68.27 0.92 Allowed 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.958 0.503 . . . . 0.0 110.374 -176.652 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 52.53 15.72 0.54 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.249 1.019 . . . . 0.0 112.966 -178.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -70.41 142.39 52.05 Favored 'General case' 0 N--CA 1.456 -0.136 0 O-C-N 122.039 -0.413 . . . . 0.0 110.202 177.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 7.1 ttm -83.97 136.73 33.95 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 173.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -119.82 146.95 45.23 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.239 0.616 . . . . 0.0 110.23 -174.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -62.11 153.83 28.85 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 94.2 p -62.32 -26.62 68.53 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 122.986 0.514 . . . . 0.0 112.066 -171.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -87.97 -10.0 51.79 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -176.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -75.46 143.98 42.34 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 117.975 0.352 . . . . 0.0 110.233 176.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 442' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -108.43 -6.11 16.34 Favored 'General case' 0 C--N 1.334 -0.103 0 C-N-CA 122.537 0.335 . . . . 0.0 110.382 175.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -141.26 159.37 42.37 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 122.973 0.509 . . . . 0.0 110.556 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 444' ' ' CYS . . . . . 0.51 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 52.4 t -64.7 145.78 55.7 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.018 0.527 . . . . 0.0 110.499 -177.22 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -80.44 -1.25 40.71 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.035 0.534 . . . . 0.0 111.044 -177.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -134.67 -41.14 0.78 Allowed 'General case' 0 C--N 1.34 0.185 0 CA-C-N 118.241 0.473 . . . . 0.0 111.809 -172.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 447' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 27.5 p -115.63 1.12 13.47 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.337 0.255 . . . . 0.0 111.598 -178.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm 57.83 18.69 5.1 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.875 0.87 . . . . 0.0 112.788 175.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -66.71 143.03 97.89 Favored Pre-proline 0 CA--C 1.532 0.273 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 175.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.58 148.66 66.74 Favored 'Trans proline' 0 N--CA 1.45 -1.054 0 C-N-CA 122.93 2.42 . . . . 0.0 111.16 -176.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 451' ' ' LYS . . . . . 0.431 ' HB2' ' CZ2' ' B' ' 426' ' ' TRP . 19.7 ttmt -67.0 -55.49 16.11 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-O 119.323 -0.37 . . . . 0.0 110.427 174.379 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 452' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 53.0 Cg_endo . . . . . 0 N--CA 1.453 -0.869 0 C-N-CA 122.596 2.198 . . . . 0.0 110.676 172.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 426' ' ' TRP . . . . . 0.436 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 59.0 p-90 . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.926 0.393 . . . . 0.0 110.708 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -87.53 146.08 25.95 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 428' ' ' CYS . . . . . 0.485 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 38.9 t -59.56 131.51 88.32 Favored Pre-proline 0 N--CA 1.45 -0.457 0 C-N-CA 122.674 0.39 . . . . 0.0 110.271 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.1 -14.62 28.97 Favored 'Trans proline' 0 N--CA 1.45 -1.041 0 C-N-CA 123.469 2.779 . . . . 0.0 111.376 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -71.0 125.04 91.98 Favored Pre-proline 0 N--CA 1.452 -0.333 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -67.09 -17.19 50.67 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 122.745 2.297 . . . . 0.0 110.947 178.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.3 p -90.99 -2.12 57.74 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 176.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 433' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 42.6 t -115.87 -67.4 1.0 Allowed 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.607 0.363 . . . . 0.0 110.7 -175.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 51.75 20.54 1.16 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.033 0.933 . . . . 0.0 113.028 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -72.0 143.3 49.23 Favored 'General case' 0 N--CA 1.455 -0.188 0 O-C-N 121.973 -0.454 . . . . 0.0 110.502 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -82.94 100.2 10.27 Favored 'General case' 0 C--O 1.23 0.078 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 175.573 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -85.08 147.2 26.77 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 122.44 0.296 . . . . 0.0 110.382 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -70.7 158.91 35.43 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 42.1 t -62.49 -28.12 69.61 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 122.967 0.507 . . . . 0.0 112.299 -173.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 -85.74 -8.72 57.99 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -177.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 89.9 mtt-85 -80.45 150.72 29.62 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 117.908 0.322 . . . . 0.0 110.605 175.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 442' ' ' ASN . . . . . 0.499 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 88.6 m-20 -117.5 -7.29 11.13 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 122.715 0.406 . . . . 0.0 110.308 173.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 29.6 mp0 -135.71 158.06 45.32 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.577 0.751 . . . . 0.0 109.679 177.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 444' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 51.7 t -65.73 147.5 53.28 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 120.986 0.422 . . . . 0.0 110.356 -177.583 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -84.85 -2.48 57.83 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.032 -177.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -134.06 -30.78 1.18 Allowed 'General case' 0 C--O 1.233 0.195 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -171.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 447' ' ' CYS . . . . . 0.485 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 26.8 p -129.06 3.19 5.26 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.477 0.311 . . . . 0.0 111.754 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 61.7 mttp 58.12 17.6 4.64 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 124.129 0.971 . . . . 0.0 113.057 175.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -66.5 141.82 97.31 Favored Pre-proline 0 N--CA 1.452 -0.342 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 175.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.76 149.85 67.47 Favored 'Trans proline' 0 N--CA 1.45 -1.042 0 C-N-CA 123.126 2.55 . . . . 0.0 110.899 -177.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 451' ' ' LYS . . . . . 0.499 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 19.5 ttmt -68.36 -56.76 9.84 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-O 119.202 -0.428 . . . . 0.0 110.348 174.607 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo . . . . . 0 N--CA 1.453 -0.853 0 C-N-CA 122.75 2.3 . . . . 0.0 110.607 173.177 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 426' ' ' TRP . . . . . 0.426 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 55.9 p-90 . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.668 0.271 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -93.89 149.23 21.41 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 428' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 47.8 t -62.2 130.13 92.73 Favored Pre-proline 0 N--CA 1.452 -0.343 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.268 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -73.92 -13.89 23.96 Favored 'Trans proline' 0 N--CA 1.451 -0.982 0 C-N-CA 123.656 2.904 . . . . 0.0 111.737 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 430' ' ' ASN . . . . . 0.41 ' HB3' ' HB3' ' B' ' 433' ' ' CYS . 7.6 t-20 -71.27 124.98 91.86 Favored Pre-proline 0 CA--C 1.533 0.322 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -179.304 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -67.76 -17.08 47.3 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 122.619 2.213 . . . . 0.0 110.593 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 1.5 p -92.54 6.43 47.24 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 176.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 433' ' ' CYS . . . . . 0.479 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 45.6 t -126.04 -68.87 0.8 Allowed 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.894 0.477 . . . . 0.0 110.487 -177.081 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 53.61 15.78 0.83 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.022 0.929 . . . . 0.0 112.675 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -67.48 145.7 54.71 Favored 'General case' 0 N--CA 1.457 -0.096 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.3 tpt -85.28 132.43 34.26 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 176.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -118.91 145.62 45.59 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.899 0.38 . . . . 0.0 110.96 -176.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -71.77 158.96 35.16 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 38.5 t -62.36 -31.25 71.87 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.969 0.507 . . . . 0.0 112.109 -173.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 54.2 p-90 -82.12 -10.02 59.33 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -177.191 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -79.5 148.67 31.74 Favored 'General case' 0 C--N 1.34 0.166 0 CA-C-N 117.828 0.285 . . . . 0.0 110.443 176.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 442' ' ' ASN . . . . . 0.414 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 91.1 m-20 -114.25 -5.17 12.99 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.002 0.521 . . . . 0.0 110.291 173.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -140.51 160.09 40.76 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.262 0.625 . . . . 0.0 110.105 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 444' ' ' CYS . . . . . 0.479 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 50.8 t -64.42 148.35 50.68 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.268 -179.526 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -88.03 4.28 45.73 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.736 0.415 . . . . 0.0 109.961 -176.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -136.85 -32.42 0.81 Allowed 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -172.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 447' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 26.9 p -130.22 2.7 4.71 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.616 0.367 . . . . 0.0 111.737 -178.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp 57.03 18.72 4.17 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 177.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.67 139.48 97.77 Favored Pre-proline 0 N--CA 1.454 -0.227 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 174.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.35 148.17 67.14 Favored 'Trans proline' 0 N--CA 1.449 -1.12 0 C-N-CA 123.039 2.493 . . . . 0.0 111.051 -176.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 451' ' ' LYS . . . . . 0.426 ' HB2' ' CZ2' ' B' ' 426' ' ' TRP . 20.9 ttmt -67.08 -55.54 15.73 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-O 119.166 -0.445 . . . . 0.0 110.543 174.448 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 452' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 52.0 Cg_endo . . . . . 0 N--CA 1.455 -0.793 0 C-N-CA 122.926 2.418 . . . . 0.0 110.805 171.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 426' ' ' TRP . . . . . 0.43 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 53.2 p-90 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.881 0.372 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -93.89 149.81 20.91 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 428' ' ' CYS . . . . . 0.455 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 49.7 t -61.55 130.35 91.96 Favored Pre-proline 0 N--CA 1.452 -0.36 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -73.89 -13.78 24.07 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 123.496 2.798 . . . . 0.0 111.631 -179.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -72.36 125.74 91.26 Favored Pre-proline 0 CA--C 1.532 0.271 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -68.34 -18.45 44.3 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 122.821 2.347 . . . . 0.0 110.548 178.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 1.9 p -89.45 0.27 56.98 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 175.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 433' ' ' CYS . . . . . 0.489 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 42.3 t -119.8 -71.61 0.73 Allowed 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.09 0.556 . . . . 0.0 110.618 -176.395 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 54.38 17.97 1.74 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.847 0.859 . . . . 0.0 112.744 -177.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -68.61 149.59 48.98 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 176.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.4 tpt -90.73 127.44 36.32 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -115.4 145.75 42.25 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.129 0.49 . . . . 0.0 110.777 -175.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -71.05 159.27 35.04 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 178.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 40.7 t -63.29 -30.4 71.54 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -174.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 57.1 p-90 -80.07 -11.65 59.75 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -177.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -78.37 147.1 34.26 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 117.94 0.336 . . . . 0.0 110.362 174.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 442' ' ' ASN . . . . . 0.415 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 91.0 m-20 -113.22 -5.95 13.63 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 122.668 0.387 . . . . 0.0 110.61 174.253 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -141.66 159.31 42.48 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.234 0.614 . . . . 0.0 110.164 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 444' ' ' CYS . . . . . 0.489 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 47.6 t -64.17 152.25 41.17 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 123.26 0.624 . . . . 0.0 110.802 -177.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -92.21 3.54 55.13 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 122.885 0.474 . . . . 0.0 109.914 -176.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -135.62 -32.81 0.89 Allowed 'General case' 0 C--O 1.233 0.202 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -172.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 447' ' ' CYS . . . . . 0.455 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 26.4 p -130.59 3.43 4.58 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.601 0.36 . . . . 0.0 111.741 -177.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 96.6 mttt 56.49 18.35 3.48 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.9 0.88 . . . . 0.0 113.186 176.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.91 139.94 97.94 Favored Pre-proline 0 N--CA 1.454 -0.238 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.96 147.42 61.55 Favored 'Trans proline' 0 N--CA 1.449 -1.119 0 C-N-CA 122.95 2.434 . . . . 0.0 111.091 -176.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 451' ' ' LYS . . . . . 0.43 ' HE2' ' NE1' ' B' ' 426' ' ' TRP . 20.7 ttmt -65.89 -56.44 17.54 Favored Pre-proline 0 CA--C 1.535 0.382 0 CA-C-O 119.258 -0.401 . . . . 0.0 110.352 174.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 452' ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 56.1 Cg_endo . . . . . 0 N--CA 1.449 -1.137 0 C-N-CA 122.85 2.366 . . . . 0.0 110.775 172.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 426' ' ' TRP . . . . . 0.436 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 61.6 p-90 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -89.4 146.6 24.56 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 428' ' ' CYS . . . . . 0.467 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 48.6 t -61.04 131.03 91.77 Favored Pre-proline 0 N--CA 1.45 -0.472 0 C-N-CA 122.949 0.5 . . . . 0.0 109.922 178.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -73.07 -13.52 26.09 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.479 2.786 . . . . 0.0 111.226 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -71.02 124.6 91.29 Favored Pre-proline 0 CA--C 1.531 0.227 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -67.66 -17.31 47.85 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 122.56 2.174 . . . . 0.0 110.637 178.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.4 p -90.24 1.0 56.95 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 176.002 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 433' ' ' CYS . . . . . 0.519 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 46.9 t -120.41 -68.65 0.89 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 122.926 0.491 . . . . 0.0 110.599 -176.032 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 52.47 21.46 1.77 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.854 0.862 . . . . 0.0 112.61 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -71.55 142.16 50.08 Favored 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 122.131 -0.355 . . . . 0.0 110.632 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -83.58 100.44 10.81 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.308 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -85.63 147.74 26.24 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 122.617 0.367 . . . . 0.0 110.61 -179.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -69.81 159.54 33.41 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 46.5 t -62.1 -31.97 72.48 Favored 'General case' 0 CA--C 1.527 0.089 0 C-N-CA 123.173 0.589 . . . . 0.0 112.107 -173.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 53.1 p-90 -81.71 -11.41 59.06 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -176.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -77.71 146.25 36.1 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 117.946 0.339 . . . . 0.0 110.749 176.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 442' ' ' ASN . . . . . 0.435 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 88.8 m-20 -112.12 -6.3 14.16 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 122.828 0.451 . . . . 0.0 110.319 174.518 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -139.98 159.26 42.58 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.212 0.605 . . . . 0.0 109.907 178.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 444' ' ' CYS . . . . . 0.519 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 50.2 t -64.53 145.33 56.3 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.019 0.438 . . . . 0.0 110.575 -178.087 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -80.95 -1.81 45.18 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.928 -177.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -133.99 -31.32 1.15 Allowed 'General case' 0 C--O 1.233 0.2 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -171.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 447' ' ' CYS . . . . . 0.467 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 24.9 p -129.88 4.27 4.94 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.129 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp 56.32 18.58 3.46 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 176.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.5 139.55 97.76 Favored Pre-proline 0 N--CA 1.454 -0.264 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 174.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.57 146.69 62.18 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.786 2.324 . . . . 0.0 111.137 -175.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 451' ' ' LYS . . . . . 0.436 ' HB2' ' CZ2' ' B' ' 426' ' ' TRP . 20.0 ttmt -66.63 -55.45 18.26 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.282 174.426 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 452' ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 49.2 Cg_endo . . . . . 0 N--CA 1.45 -1.04 0 C-N-CA 122.823 2.349 . . . . 0.0 110.689 171.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 426' ' ' TRP . . . . . 0.429 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 58.5 p-90 . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 120.822 0.344 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -95.63 148.5 22.47 Favored 'General case' 0 C--N 1.338 0.091 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.082 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 428' ' ' CYS . . . . . 0.455 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 49.4 t -61.75 129.79 91.8 Favored Pre-proline 0 N--CA 1.449 -0.501 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.131 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.19 -13.46 23.37 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 123.622 2.881 . . . . 0.0 111.482 -178.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -71.95 125.02 91.67 Favored Pre-proline 0 N--CA 1.454 -0.265 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -179.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.69 -19.35 41.72 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 122.941 2.427 . . . . 0.0 110.54 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.3 p -89.29 0.44 56.8 Favored 'General case' 0 C--N 1.339 0.116 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 176.026 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 433' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 42.3 t -118.24 -68.77 0.89 Allowed 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 122.952 0.501 . . . . 0.0 110.543 -177.04 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 53.06 17.12 0.86 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.208 1.003 . . . . 0.0 112.799 -177.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -68.34 144.42 54.8 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 177.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.9 tpt -84.55 135.3 34.27 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 175.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -121.05 144.92 48.29 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 121.052 0.453 . . . . 0.0 110.88 -176.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -67.88 155.86 38.45 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 90.1 p -62.24 -27.63 69.13 Favored 'General case' 0 C--O 1.231 0.093 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -172.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -86.33 -9.02 57.22 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -176.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -78.64 147.44 33.6 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 175.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 442' ' ' ASN . . . . . 0.461 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 90.2 m-20 -112.8 -4.98 13.92 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 122.751 0.421 . . . . 0.0 110.608 174.484 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -142.34 159.6 41.92 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.043 0.537 . . . . 0.0 110.089 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 444' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 43.3 t -64.44 148.53 50.33 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 122.878 0.471 . . . . 0.0 110.238 -177.688 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -89.51 5.04 47.23 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.196 -0.457 . . . . 0.0 109.935 -176.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -136.85 -33.36 0.78 Allowed 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -172.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 447' ' ' CYS . . . . . 0.455 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 27.8 p -129.39 3.93 5.14 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -178.238 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp 58.6 15.71 3.82 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.911 0.884 . . . . 0.0 112.693 176.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.99 140.95 98.26 Favored Pre-proline 0 CA--C 1.531 0.212 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 176.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.72 149.23 66.9 Favored 'Trans proline' 0 N--CA 1.449 -1.092 0 C-N-CA 123.106 2.537 . . . . 0.0 110.971 -176.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 451' ' ' LYS . . . . . 0.461 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.4 ttmt -67.33 -55.46 15.25 Favored Pre-proline 0 CA--C 1.535 0.393 0 C-N-CA 122.639 0.376 . . . . 0.0 110.295 173.344 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 452' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 55.5 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 C-N-CA 122.978 2.452 . . . . 0.0 110.539 171.132 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 426' ' ' TRP . . . . . 0.441 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 60.2 p-90 . . . . . 0 N--CA 1.455 -0.214 0 CA-C-O 120.613 0.244 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -88.24 148.89 24.13 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 428' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 36.4 t -63.45 130.8 94.54 Favored Pre-proline 0 N--CA 1.449 -0.502 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 178.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.9 -12.87 24.08 Favored 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 123.322 2.681 . . . . 0.0 111.805 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -71.6 125.5 91.73 Favored Pre-proline 0 CA--C 1.532 0.285 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -69.0 -19.23 40.02 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 122.729 2.286 . . . . 0.0 111.212 -178.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.6 p -89.92 -7.15 54.82 Favored 'General case' 0 C--N 1.338 0.104 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 176.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 433' ' ' CYS . . . . . 0.477 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 41.9 t -106.8 -69.98 0.81 Allowed 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.03 0.532 . . . . 0.0 110.304 -176.747 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 53.01 17.55 0.93 Allowed 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.879 0.871 . . . . 0.0 112.768 -177.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -67.08 144.51 56.07 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 8.8 tpt -87.55 108.15 18.92 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -92.76 146.9 23.3 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.084 0.469 . . . . 0.0 110.996 -176.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -70.28 158.97 34.92 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 31.4 t -61.78 -32.98 73.29 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 123.046 0.538 . . . . 0.0 112.372 -173.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 53.3 p-90 -81.88 -9.39 59.61 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -175.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -80.08 151.77 29.7 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 117.915 0.325 . . . . 0.0 110.84 177.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 442' ' ' ASN . . . . . 0.485 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 91.3 m-20 -116.08 -6.8 11.93 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 122.869 0.468 . . . . 0.0 110.584 174.121 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -140.91 160.26 40.45 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.161 0.585 . . . . 0.0 109.746 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 444' ' ' CYS . . . . . 0.477 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 44.2 t -64.69 150.05 47.93 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 122.874 0.47 . . . . 0.0 110.756 -177.394 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -92.35 4.23 53.8 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.344 -177.203 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -135.6 -32.63 0.9 Allowed 'General case' 0 C--N 1.341 0.2 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -172.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 447' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 26.2 p -131.51 3.47 4.22 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.542 0.337 . . . . 0.0 111.674 -178.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm 57.99 17.69 4.58 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 124.075 0.95 . . . . 0.0 113.152 176.256 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.68 140.49 97.43 Favored Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 176.069 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.06 149.45 65.0 Favored 'Trans proline' 0 N--CA 1.45 -1.054 0 C-N-CA 123.014 2.476 . . . . 0.0 111.004 -176.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 451' ' ' LYS . . . . . 0.485 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.3 ttmt -68.92 -56.1 9.68 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-O 119.288 -0.387 . . . . 0.0 110.36 174.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 452' ' ' PRO . . . . . 0.408 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 53.5 Cg_endo . . . . . 0 N--CA 1.452 -0.94 0 C-N-CA 122.92 2.413 . . . . 0.0 110.584 171.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 426' ' ' TRP . . . . . 0.429 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 63.7 p-90 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.754 0.311 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -87.77 145.51 26.08 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -178.21 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 428' ' ' CYS . . . . . 0.486 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 49.8 t -60.19 131.99 90.03 Favored Pre-proline 0 N--CA 1.449 -0.519 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 178.567 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.26 -14.06 25.6 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.429 2.753 . . . . 0.0 111.625 -178.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -70.79 124.92 91.8 Favored Pre-proline 0 CA--C 1.532 0.253 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.01 -16.35 49.25 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 122.623 2.215 . . . . 0.0 110.401 176.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 1.6 p -93.39 8.25 41.26 Favored 'General case' 0 C--O 1.231 0.08 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 176.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 433' ' ' CYS . . . . . 0.527 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 46.3 t -127.99 -68.77 0.76 Allowed 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 122.959 0.503 . . . . 0.0 110.49 -177.118 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 52.39 20.03 1.31 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.181 0.992 . . . . 0.0 112.723 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -70.41 139.1 51.76 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 122.147 -0.346 . . . . 0.0 110.334 178.186 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.66 100.05 8.48 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 176.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -83.88 148.41 26.98 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.882 0.372 . . . . 0.0 110.928 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -68.76 157.33 36.6 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 43.1 t -62.34 -32.72 73.53 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -173.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -80.08 -11.43 59.76 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -176.167 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -78.43 146.94 34.22 Favored 'General case' 0 C--N 1.341 0.208 0 O-C-N 122.006 -0.434 . . . . 0.0 110.64 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 442' ' ' ASN . . . . . 0.461 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 89.8 m-20 -111.87 -5.57 14.36 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 122.715 0.406 . . . . 0.0 110.512 174.03 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -141.81 159.89 41.3 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.245 0.618 . . . . 0.0 109.84 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 444' ' ' CYS . . . . . 0.527 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 51.5 t -65.25 147.65 53.07 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.58 -176.234 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -83.8 -1.64 54.7 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.975 -177.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -134.52 -35.93 0.88 Allowed 'General case' 0 CA--C 1.527 0.095 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -171.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 447' ' ' CYS . . . . . 0.486 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 26.4 p -122.94 2.72 9.39 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.535 0.334 . . . . 0.0 111.769 -179.335 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm 57.66 17.5 4.1 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.903 0.881 . . . . 0.0 113.21 175.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -66.27 141.83 97.5 Favored Pre-proline 0 CA--C 1.533 0.314 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 150.43 67.9 Favored 'Trans proline' 0 N--CA 1.449 -1.09 0 C-N-CA 123.116 2.544 . . . . 0.0 111.043 -175.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 451' ' ' LYS . . . . . 0.461 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 21.4 ttmt -67.78 -56.34 11.98 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-O 119.135 -0.46 . . . . 0.0 110.208 174.002 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo . . . . . 0 N--CA 1.455 -0.769 0 C-N-CA 122.719 2.279 . . . . 0.0 110.678 171.76 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 426' ' ' TRP . . . . . 0.435 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 55.0 p-90 . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.864 0.364 . . . . 0.0 111.413 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -93.12 149.71 21.03 Favored 'General case' 0 CA--C 1.526 0.034 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 428' ' ' CYS . . . . . 0.465 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 46.9 t -62.61 129.2 92.59 Favored Pre-proline 0 CA--C 1.535 0.392 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 179.145 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -74.05 -13.12 23.76 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 123.593 2.862 . . . . 0.0 111.615 -178.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -72.1 125.06 91.61 Favored Pre-proline 0 CA--C 1.533 0.295 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.21 -17.56 45.09 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.768 2.312 . . . . 0.0 110.797 178.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.5 p -90.43 -0.07 57.5 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 176.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 433' ' ' CYS . . . . . 0.499 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 46.6 t -119.74 -68.26 0.92 Allowed 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.031 0.533 . . . . 0.0 110.352 -176.555 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 52.78 16.59 0.7 Allowed 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.088 0.955 . . . . 0.0 112.659 -178.214 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -68.79 145.36 53.85 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.5 tpt -85.23 133.89 34.16 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 177.05 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -120.43 144.87 47.72 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.745 0.307 . . . . 0.0 110.615 -176.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -71.69 158.1 36.76 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 94.4 p -61.25 -28.15 68.96 Favored 'General case' 0 C--O 1.231 0.082 0 C-N-CA 123.025 0.53 . . . . 0.0 112.4 -171.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 45.4 p-90 -86.6 -9.26 56.46 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -176.177 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -77.92 145.54 36.09 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 174.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 442' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -110.19 -6.84 14.96 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 122.699 0.4 . . . . 0.0 110.427 174.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -141.91 160.3 40.48 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.193 0.597 . . . . 0.0 110.156 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 444' ' ' CYS . . . . . 0.499 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 49.2 t -64.14 148.77 49.17 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.251 -178.394 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -84.52 -0.84 54.56 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.065 -177.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -136.07 -34.55 0.8 Allowed 'General case' 0 C--O 1.232 0.141 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -171.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 447' ' ' CYS . . . . . 0.465 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 28.9 p -123.4 3.08 9.11 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 122.63 0.372 . . . . 0.0 111.821 -179.035 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm 59.09 15.74 4.28 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.893 0.877 . . . . 0.0 112.977 175.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.92 139.92 97.94 Favored Pre-proline 0 CA--C 1.53 0.196 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.76 149.12 60.0 Favored 'Trans proline' 0 N--CA 1.451 -1.028 0 C-N-CA 122.733 2.288 . . . . 0.0 111.278 -176.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 451' ' ' LYS . . . . . 0.435 ' HE2' ' NE1' ' B' ' 426' ' ' TRP . 20.1 ttmt -67.76 -55.8 13.24 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-O 118.94 -0.552 . . . . 0.0 110.325 174.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 452' ' ' PRO . . . . . 0.41 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 50.0 Cg_endo . . . . . 0 N--CA 1.455 -0.738 0 C-N-CA 122.723 2.282 . . . . 0.0 110.576 172.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 426' ' ' TRP . . . . . 0.431 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 57.2 p-90 . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 120.663 0.268 . . . . 0.0 110.779 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -93.73 147.45 23.03 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 428' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 49.5 t -60.21 131.49 89.93 Favored Pre-proline 0 N--CA 1.451 -0.423 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.251 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -73.7 -13.43 24.55 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 123.613 2.875 . . . . 0.0 111.564 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -70.88 124.85 91.69 Favored Pre-proline 0 CA--C 1.533 0.32 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.04 -17.33 51.03 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 122.718 2.279 . . . . 0.0 110.716 178.163 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.3 p -91.2 1.05 57.38 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 176.215 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 433' ' ' CYS . . . . . 0.51 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 44.1 t -120.06 -68.44 0.91 Allowed 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 122.871 0.468 . . . . 0.0 110.813 -176.072 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 51.69 21.56 1.39 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.921 0.888 . . . . 0.0 112.688 -178.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -70.2 141.35 52.55 Favored 'General case' 0 N--CA 1.455 -0.222 0 O-C-N 122.221 -0.299 . . . . 0.0 110.359 178.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 4.3 tpt -82.64 103.2 11.99 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 177.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -90.59 147.33 23.4 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.967 0.413 . . . . 0.0 110.771 -178.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -72.27 157.27 38.02 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 90.6 p -60.4 -26.96 67.07 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -173.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 52.4 p-90 -87.17 -7.47 57.93 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -175.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 90.1 mtt-85 -82.0 148.19 28.79 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 117.626 0.194 . . . . 0.0 110.516 175.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 442' ' ' ASN . . . . . 0.476 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 90.7 m-20 -113.76 -6.06 13.29 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.442 174.249 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -139.2 160.08 40.65 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.491 0.716 . . . . 0.0 109.783 178.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 444' ' ' CYS . . . . . 0.51 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 49.6 t -65.2 147.53 53.3 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 121.007 0.432 . . . . 0.0 110.087 -178.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -87.89 2.29 51.89 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.142 -176.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -135.17 -31.48 0.99 Allowed 'General case' 0 C--O 1.232 0.139 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -171.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 447' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 26.7 p -132.68 4.17 3.88 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 122.45 0.3 . . . . 0.0 111.773 -179.567 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp 56.66 17.79 3.31 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.09 140.29 97.86 Favored Pre-proline 0 N--CA 1.454 -0.247 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 174.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -69.47 149.58 68.89 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 123.104 2.536 . . . . 0.0 110.833 -175.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 451' ' ' LYS . . . . . 0.476 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.8 ttmt -67.99 -55.27 13.74 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-O 119.077 -0.487 . . . . 0.0 110.093 174.154 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 452' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 51.1 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 C-N-CA 122.978 2.452 . . . . 0.0 110.949 171.237 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 426' ' ' TRP . . . . . 0.42 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 56.0 p-90 . . . . . 0 CA--C 1.524 -0.036 0 CA-C-O 120.862 0.363 . . . . 0.0 111.337 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -92.81 148.76 21.76 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 428' ' ' CYS . . . . . 0.484 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 49.3 t -61.32 129.8 91.19 Favored Pre-proline 0 N--CA 1.452 -0.348 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.96 -13.21 23.96 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 123.552 2.835 . . . . 0.0 111.628 -179.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -72.5 124.26 90.57 Favored Pre-proline 0 N--CA 1.455 -0.195 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.27 -18.3 50.31 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 122.574 2.183 . . . . 0.0 110.625 177.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.3 p -89.45 1.04 56.41 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 176.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 433' ' ' CYS . . . . . 0.492 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 46.5 t -121.71 -68.96 0.86 Allowed 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.007 0.523 . . . . 0.0 110.56 -176.448 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 52.8 17.13 0.79 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.27 1.028 . . . . 0.0 112.871 -178.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -68.11 145.94 53.93 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 177.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.3 tpt -85.68 128.47 34.79 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -115.82 144.73 43.6 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.882 0.372 . . . . 0.0 110.67 -176.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -71.5 157.8 37.38 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 29.6 t -61.65 -31.36 71.46 Favored 'General case' 0 C--O 1.231 0.1 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -173.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 50.9 p-90 -79.85 -9.06 59.62 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -177.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -80.93 151.18 28.68 Favored 'General case' 0 C--N 1.338 0.106 0 CA-C-N 118.107 0.412 . . . . 0.0 110.65 175.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 442' ' ' ASN . . . . . 0.501 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 89.2 m-20 -118.24 -7.58 10.73 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.71 0.404 . . . . 0.0 110.252 174.37 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 29.9 mp0 -136.64 157.83 45.85 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.592 0.757 . . . . 0.0 109.819 178.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 444' ' ' CYS . . . . . 0.492 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 44.8 t -64.54 147.76 52.16 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 122.829 0.452 . . . . 0.0 110.534 -179.309 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -81.51 -2.51 50.09 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 122.756 0.423 . . . . 0.0 111.407 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -134.48 -40.18 0.8 Allowed 'General case' 0 C--N 1.342 0.259 0 CA-C-N 118.1 0.409 . . . . 0.0 112.045 -172.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 447' ' ' CYS . . . . . 0.484 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 27.2 p -114.81 0.57 13.84 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.397 0.279 . . . . 0.0 111.5 -178.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 95.7 mttt 57.39 19.02 4.8 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.069 0.948 . . . . 0.0 112.678 177.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.34 140.41 97.76 Favored Pre-proline 0 N--CA 1.454 -0.246 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 175.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.1 149.1 64.27 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.037 2.491 . . . . 0.0 110.772 -176.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 451' ' ' LYS . . . . . 0.501 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.8 ttmt -67.51 -55.95 13.57 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-O 119.166 -0.445 . . . . 0.0 110.607 174.283 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 452' ' ' PRO . . . . . 0.401 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 55.7 Cg_endo . . . . . 0 N--CA 1.451 -0.995 0 C-N-CA 123.062 2.508 . . . . 0.0 110.161 172.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.191 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.22 -13.43 28.31 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 124.11 3.207 . . . . 0.0 111.41 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 87.3 mt -72.49 162.45 29.45 Favored 'General case' 0 C--N 1.338 0.105 0 C-N-CA 122.624 0.37 . . . . 0.0 110.745 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -173.28 179.39 44.72 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 70.2 m -74.0 -3.27 28.23 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 122.881 0.472 . . . . 0.0 111.748 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . -71.38 151.58 48.54 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -146.85 170.39 17.15 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.211 0.605 . . . . 0.0 110.254 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -147.47 135.42 21.26 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 175.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 422' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -142.07 152.84 43.7 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.797 0.332 . . . . 0.0 110.476 -177.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -63.78 129.15 38.95 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 105.26 -10.1 46.63 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -60.85 158.63 12.67 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 117.57 0.685 . . . . 0.0 111.764 173.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 426' ' ' TRP . . . . . 0.429 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 59.9 p-90 -151.16 146.93 26.45 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.909 -176.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -95.9 147.74 23.35 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -178.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 49.8 t -61.85 130.09 92.19 Favored Pre-proline 0 N--CA 1.452 -0.372 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.8 -13.49 21.88 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 123.421 2.747 . . . . 0.0 111.562 -178.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -70.91 124.88 91.76 Favored Pre-proline 0 CA--C 1.534 0.33 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.97 -17.34 46.29 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 122.636 2.224 . . . . 0.0 110.623 177.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.3 p -90.2 0.74 57.04 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 176.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 48.1 t -121.94 -69.74 0.82 Allowed 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.093 0.557 . . . . 0.0 110.606 -175.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 53.07 17.08 0.85 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.017 0.927 . . . . 0.0 112.749 -177.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -69.58 145.47 52.52 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.7 tpt -84.33 136.54 33.86 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.903 -0.776 . . . . 0.0 108.903 177.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -123.09 145.27 48.71 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.853 0.359 . . . . 0.0 110.992 -175.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -65.03 154.2 38.46 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.11 -0.496 . . . . 0.0 112.067 178.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 39.0 t -62.3 -32.02 72.7 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -173.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 56.9 p-90 -80.37 -9.44 59.75 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -176.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -78.18 147.1 34.65 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 117.894 0.315 . . . . 0.0 110.477 175.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 442' ' ' ASN . . . . . 0.446 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 90.3 m-20 -111.93 -5.47 14.34 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 122.602 0.361 . . . . 0.0 110.783 174.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -141.77 159.84 41.41 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.013 0.525 . . . . 0.0 110.202 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 50.9 t -63.58 147.74 50.67 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.646 -177.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -81.09 -3.12 50.92 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -177.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -135.41 -37.93 0.76 Allowed 'General case' 0 C--N 1.342 0.272 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -171.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 28.9 p -118.23 3.03 12.0 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp 58.41 15.87 3.77 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.875 0.87 . . . . 0.0 112.741 176.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.79 140.16 97.19 Favored Pre-proline 0 CA--C 1.53 0.203 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.59 149.05 67.45 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.949 2.433 . . . . 0.0 111.089 -176.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 451' ' ' LYS . . . . . 0.446 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.2 ttmt -67.37 -55.22 15.72 Favored Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.478 174.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 452' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 49.5 Cg_endo -67.33 168.66 17.24 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 122.815 2.344 . . . . 0.0 110.695 172.063 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -71.43 -4.69 27.84 Favored 'General case' 0 CA--C 1.528 0.129 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.194 0 CA-C-O 117.272 -1.849 . . . . 0.0 110.671 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 O4'-C1'-N19 111.955 3.755 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.477 0 C5'-C4'-C3' 111.396 -2.736 . 0.01 8d . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.99 1 C5'-C4'-C3' 109.495 -4.003 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1t' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.771 0 C5'-C4'-C3' 110.4 -3.4 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.472 0 C5'-C4'-C3' 109.666 -3.89 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.012 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -68.32 159.97 51.01 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 123.863 3.042 . . . . 0.0 110.901 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 66.3 tp -67.39 133.29 49.31 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -82.77 173.56 52.58 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.75 -0.54 . . . . 0.0 111.75 -177.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 75.6 m 57.76 11.09 1.23 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.362 1.065 . . . . 0.0 113.27 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . -82.68 150.5 28.2 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -76.01 161.54 28.81 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -151.63 137.72 18.26 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.577 0.227 . . . . 0.0 111.273 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 422' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -146.85 158.77 44.0 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 124.243 1.017 . . . . 0.0 109.747 178.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -61.37 126.96 29.24 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 108.59 -11.39 35.72 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -63.22 167.45 5.13 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 117.178 0.489 . . . . 0.0 112.255 174.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 426' ' ' TRP . . . . . 0.433 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 65.1 p-90 -150.87 139.21 20.34 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 120.89 0.376 . . . . 0.0 110.53 179.351 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -89.51 145.57 25.2 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 49.0 t -60.45 131.04 90.38 Favored Pre-proline 0 N--CA 1.452 -0.374 0 C-N-CA 122.707 0.403 . . . . 0.0 109.941 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.65 -13.92 27.24 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.661 2.907 . . . . 0.0 111.541 -178.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -71.13 125.13 91.94 Favored Pre-proline 0 CA--C 1.532 0.279 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -67.25 -18.27 50.43 Favored 'Trans proline' 0 N--CA 1.451 -0.986 0 C-N-CA 122.715 2.277 . . . . 0.0 110.948 178.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 1.9 p -90.43 1.39 56.68 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 176.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 42.6 t -120.06 -70.05 0.81 Allowed 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 122.914 0.486 . . . . 0.0 110.38 -176.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 52.9 20.6 1.7 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.797 0.839 . . . . 0.0 112.629 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -70.51 142.32 51.86 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 122.238 -0.289 . . . . 0.0 110.34 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -83.21 100.23 10.45 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 176.278 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -85.49 147.75 26.3 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.639 0.256 . . . . 0.0 110.42 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 438' ' ' PHE . . . . . 0.41 ' CD2' ' C2 ' ' A' ' 2' ' ' ' G' . 20.1 m-30 -71.14 158.42 36.48 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 48.4 t -61.33 -28.84 69.5 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -171.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 440' ' ' TRP . . . . . 0.508 ' CZ2' " H1'" ' A' ' 1' ' ' ' U' . 48.2 p-90 -83.77 -10.55 58.01 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -176.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -78.68 148.04 33.29 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 118.122 0.419 . . . . 0.0 110.282 176.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 442' ' ' ASN . . . . . 0.513 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 88.2 m-20 -113.98 -7.7 13.11 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 122.651 0.38 . . . . 0.0 110.394 173.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 28.5 mp0 -135.43 157.82 45.92 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.629 0.772 . . . . 0.0 109.805 178.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 49.8 t -64.69 148.71 50.49 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.309 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -90.64 3.95 52.75 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.177 -176.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -136.62 -32.95 0.81 Allowed 'General case' 0 C--N 1.341 0.212 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -171.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 27.0 p -130.55 3.81 4.61 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.591 0.357 . . . . 0.0 111.883 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt 58.32 17.4 4.69 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.129 0.971 . . . . 0.0 113.195 175.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -66.49 141.57 97.18 Favored Pre-proline 0 CA--C 1.53 0.204 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.22 149.67 70.6 Favored 'Trans proline' 0 N--CA 1.449 -1.138 0 C-N-CA 123.215 2.61 . . . . 0.0 111.054 -176.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 451' ' ' LYS . . . . . 0.513 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 19.4 ttmt -68.49 -55.13 12.47 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-O 119.197 -0.43 . . . . 0.0 110.485 174.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 452' ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 47.2 Cg_endo -67.55 168.33 18.46 Favored 'Trans proline' 0 N--CA 1.449 -1.124 0 C-N-CA 122.882 2.388 . . . . 0.0 110.411 171.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -71.96 -3.86 25.1 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.177 0 CA-C-O 117.303 -1.832 . . . . 0.0 110.464 -179.867 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ' U' . . . . . 0.508 " H1'" ' CZ2' ' B' ' 440' ' ' TRP . . . . . . . . 0 O4'--C4' 1.416 -3.075 1 O4'-C1'-N19 112.302 4.102 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . 0.41 ' C2 ' ' CD2' ' B' ' 438' ' ' PHE . . . . . . . . 0 O4'--C4' 1.419 -2.844 0 C4'-C3'-C2' 100.297 -2.403 . 0.147 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.401 0 O4'-C1'-N19 111.523 3.323 . 0.448 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.976 0 C5'-C4'-C3' 110.216 -3.522 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.248 1 O4'-C1'-N19 112.228 4.028 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.16 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.62 167.46 24.2 Favored 'Trans proline' 0 N--CA 1.451 -0.994 0 C-N-CA 124.014 3.143 . . . . 0.0 110.767 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 96.6 mt -65.99 156.89 32.31 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 122.796 0.438 . . . . 0.0 110.369 178.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -178.92 161.76 28.3 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 29.4 t -71.13 147.74 48.11 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 122.776 0.431 . . . . 0.0 111.15 -178.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . -86.52 2.99 87.43 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -134.96 -39.6 0.77 Allowed 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 117.351 0.575 . . . . 0.0 110.4 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 59.51 153.51 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.944 1.298 . . . . 0.0 112.903 -178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 422' ' ' ARG . . . . . 0.404 ' HD2' ' C6 ' ' A' ' 2' ' ' ' G' . 73.6 mtt180 -145.04 155.91 43.63 Favored 'General case' 0 CA--C 1.527 0.077 0 C-N-CA 123.446 0.698 . . . . 0.0 109.522 175.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -70.03 -2.04 11.57 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -174.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . -104.05 -6.56 42.44 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -64.21 163.93 11.89 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -177.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 426' ' ' TRP . . . . . 0.425 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 67.8 p-90 -149.73 138.12 20.65 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.282 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -84.37 143.96 29.12 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.746 -0.206 . . . . 0.0 110.527 -176.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 46.9 t -62.19 131.74 93.66 Favored Pre-proline 0 N--CA 1.449 -0.478 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 177.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.49 -12.76 27.37 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.4 2.733 . . . . 0.0 111.704 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -72.84 124.37 90.66 Favored Pre-proline 0 CA--C 1.533 0.318 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -66.66 -17.89 53.09 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 122.764 2.309 . . . . 0.0 110.715 177.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 1.7 p -90.02 2.11 55.55 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 175.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 47.4 t -121.96 -68.68 0.88 Allowed 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 122.929 0.491 . . . . 0.0 110.505 -176.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 52.49 19.5 1.2 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.905 0.882 . . . . 0.0 112.628 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -71.42 137.14 48.07 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 122.258 -0.276 . . . . 0.0 110.27 178.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 1.1 ttm -81.55 108.32 15.03 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 173.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -87.47 149.52 24.36 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.132 0.573 . . . . 0.0 110.702 -178.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -63.17 153.92 32.88 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 178.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 92.2 p -61.95 -26.19 68.05 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -173.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 58.3 p-90 -88.97 -8.98 53.1 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -176.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -77.79 147.06 35.46 Favored 'General case' 0 C--N 1.339 0.111 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 176.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 442' ' ' ASN . . . . . 0.458 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 89.6 m-20 -111.43 -5.77 14.55 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 122.598 0.359 . . . . 0.0 110.604 175.11 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -141.75 159.27 42.57 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.069 0.548 . . . . 0.0 109.724 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 51.5 t -64.58 146.82 54.06 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.137 0.494 . . . . 0.0 110.083 -176.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -88.15 2.86 51.14 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.039 -176.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -136.05 -32.06 0.89 Allowed 'General case' 0 C--N 1.339 0.12 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -170.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 26.0 p -131.49 4.41 4.29 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 58.06 17.56 4.54 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.129 0.972 . . . . 0.0 113.379 175.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -66.7 141.61 97.02 Favored Pre-proline 0 N--CA 1.453 -0.29 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 175.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.89 149.96 66.8 Favored 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 123.01 2.473 . . . . 0.0 111.243 -176.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 451' ' ' LYS . . . . . 0.458 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.3 ttmt -68.27 -55.42 12.61 Favored Pre-proline 0 CA--C 1.532 0.278 0 C-N-CA 122.88 0.472 . . . . 0.0 110.129 174.229 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 452' ' ' PRO . . . . . 0.408 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 44.8 Cg_endo -66.86 168.48 16.91 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 122.526 2.151 . . . . 0.0 110.631 170.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -70.56 -11.61 61.04 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.118 0 CA-C-O 117.282 -1.843 . . . . 0.0 110.773 -178.699 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.399 0 O4'-C1'-N19 111.209 3.009 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . 0.404 ' C6 ' ' HD2' ' B' ' 422' ' ' ARG . . . . . . . . 0 O4'--C4' 1.423 -2.463 0 N19-C1'-C2' 109.197 -2.627 . 0.011 8d . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.926 0 C5'-C4'-C3' 110.105 -3.597 . 0.06 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.878 0 C4'-C3'-C2' 100.568 -2.132 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 C5'-C4'-C3' 111.299 -2.801 . 0.222 5p . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 414' ' ' GLY . . . . . 0.415 ' N ' HO2' ' A' ' 4' ' ' ' U' . . . . . . . . 0 N--CA 1.473 1.126 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.1 154.22 70.68 Favored 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 123.721 2.948 . . . . 0.0 110.425 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 86.0 mt -78.62 147.14 33.75 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.292 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 61.78 -158.62 32.64 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 47.2 t -75.27 -11.25 60.02 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.583 0.353 . . . . 0.0 110.42 176.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 72.19 173.67 21.34 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 14.3 pm0 -69.38 151.02 46.65 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 120.787 0.327 . . . . 0.0 110.214 177.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -137.51 152.25 49.29 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.048 0.539 . . . . 0.0 109.949 -177.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 422' ' ' ARG . . . . . 0.487 ' HD2' ' C6 ' ' A' ' 2' ' ' ' G' . 93.4 mtt180 -142.08 152.48 43.35 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 122.861 0.464 . . . . 0.0 110.093 177.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -62.4 127.96 33.79 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 103.93 -7.24 48.62 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -56.57 152.45 11.86 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 117.725 0.762 . . . . 0.0 111.578 172.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 426' ' ' TRP . . . . . 0.441 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 57.6 p-90 -153.81 144.99 22.9 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 120.973 0.415 . . . . 0.0 111.187 -176.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -93.75 149.11 21.5 Favored 'General case' 0 C--N 1.34 0.157 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 45.4 t -62.01 130.55 92.78 Favored Pre-proline 0 N--CA 1.448 -0.529 0 C-N-CA 122.703 0.401 . . . . 0.0 110.12 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -74.38 -13.14 22.98 Favored 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 123.669 2.912 . . . . 0.0 111.637 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -71.94 125.19 91.63 Favored Pre-proline 0 N--CA 1.454 -0.235 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -67.89 -17.73 46.75 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.891 2.394 . . . . 0.0 110.866 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.0 p -90.87 0.35 57.51 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 176.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 42.5 t -119.67 -68.51 0.91 Allowed 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 122.982 0.513 . . . . 0.0 110.629 -176.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 52.36 17.5 0.76 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.015 0.926 . . . . 0.0 112.757 -178.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -68.23 145.33 54.38 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 177.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 9.9 tpt -86.04 127.44 34.66 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 176.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -114.46 145.22 42.16 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.151 0.501 . . . . 0.0 110.758 -176.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -70.75 158.74 35.78 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -179.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 32.9 t -62.28 -30.52 71.19 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.045 0.538 . . . . 0.0 112.154 -173.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -82.08 -9.6 59.49 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 112.837 0.681 . . . . 0.0 112.837 -177.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -80.14 148.19 31.04 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-N 117.86 0.3 . . . . 0.0 110.56 175.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 442' ' ' ASN . . . . . 0.512 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 90.6 m-20 -115.73 -6.92 12.13 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.575 174.072 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 31.5 mp0 -136.04 157.84 45.86 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.487 0.715 . . . . 0.0 109.547 177.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 52.2 t -63.02 146.97 52.03 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 122.783 0.433 . . . . 0.0 110.014 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -87.06 3.65 45.23 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.117 -176.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -136.84 -33.81 0.76 Allowed 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -171.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 28.5 p -128.28 5.21 5.77 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm 57.98 16.43 3.73 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.851 0.86 . . . . 0.0 113.081 176.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.62 140.84 97.63 Favored Pre-proline 0 CA--C 1.533 0.325 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 176.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -70.12 147.99 61.78 Favored 'Trans proline' 0 N--CA 1.448 -1.152 0 C-N-CA 123.213 2.609 . . . . 0.0 110.819 -176.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 451' ' ' LYS . . . . . 0.512 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 19.4 ttmt -68.55 -56.48 9.94 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-O 119.061 -0.495 . . . . 0.0 110.477 174.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -69.83 177.38 5.69 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 122.905 2.404 . . . . 0.0 110.971 172.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 15.4 p30 -76.05 -10.27 59.28 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.243 0 CA-C-O 117.038 -1.979 . . . . 0.0 111.043 -178.026 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 O4'-C1'-N19 111.026 2.826 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . 0.487 ' C6 ' ' HD2' ' B' ' 422' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.73 0 O4'-C1'-N19 111.493 3.293 . 0.01 8d . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.44 0 O4'-C1'-N19 111.803 3.603 . 0.49 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ' U' . . . . . 0.415 HO2' ' N ' ' B' ' 414' ' ' GLY . . . . . . . . 0 O4'--C4' 1.417 -3.005 0 C5'-C4'-C3' 110.549 -3.301 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.364 0 C5'-C4'-C3' 109.54 -3.973 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.245 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.94 159.12 54.41 Favored 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 123.832 3.022 . . . . 0.0 110.598 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 87.0 mt -69.18 -17.45 63.8 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.6 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -75.91 -13.06 83.49 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 33.2 t -75.4 -15.95 60.4 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 117.547 0.674 . . . . 0.0 110.786 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . -84.61 -13.91 71.82 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 177.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -82.66 167.42 18.27 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 117.221 0.511 . . . . 0.0 110.152 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 20.2 tm0? -150.41 140.19 21.77 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 176.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 422' ' ' ARG . . . . . 0.484 ' HD2' ' C6 ' ' A' ' 2' ' ' ' G' . 91.6 mtt180 -143.38 151.9 40.97 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 123.029 0.532 . . . . 0.0 109.995 177.411 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -63.2 125.05 22.8 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 107.22 -7.7 37.67 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.501 -0.64 . . . . 0.0 111.501 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -56.48 149.46 17.08 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 117.769 0.784 . . . . 0.0 111.654 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 426' ' ' TRP . . . . . 0.423 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 57.0 p-90 -153.16 140.18 19.26 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.339 -174.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -88.03 148.42 24.52 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 49.1 t -62.73 130.06 93.44 Favored Pre-proline 0 N--CA 1.447 -0.577 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.65 -13.86 24.64 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 123.229 2.619 . . . . 0.0 111.552 -178.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -72.24 124.75 91.25 Favored Pre-proline 0 CA--C 1.534 0.336 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -68.44 -17.41 43.88 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 122.806 2.337 . . . . 0.0 110.59 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.5 p -91.39 0.72 57.47 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 176.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 42.4 t -119.41 -68.95 0.88 Allowed 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.184 0.593 . . . . 0.0 110.681 -176.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 53.08 17.99 1.05 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.869 0.868 . . . . 0.0 113.031 -177.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -65.66 140.3 58.47 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 9.6 tpt -86.08 105.85 16.8 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -90.57 147.89 23.04 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.818 0.342 . . . . 0.0 111.483 -175.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 438' ' ' PHE . . . . . 0.433 ' CE2' ' C5 ' ' A' ' 3' ' ' ' G' . 15.8 m-85 -69.39 156.49 38.74 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 178.114 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 91.7 p -62.29 -29.13 70.21 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -173.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 55.8 p-90 -84.64 -9.0 58.67 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -175.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -80.03 149.31 30.76 Favored 'General case' 0 N--CA 1.457 -0.089 0 O-C-N 122.296 -0.253 . . . . 0.0 110.566 175.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 442' ' ' ASN . . . . . 0.49 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 88.2 m-20 -114.71 -7.43 12.7 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 123.242 0.339 . . . . 0.0 110.619 174.042 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 30.2 mp0 -136.91 157.6 46.37 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.594 0.758 . . . . 0.0 110.025 178.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 50.3 t -64.35 147.16 53.16 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 122.834 0.453 . . . . 0.0 110.367 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -84.46 -1.32 55.49 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.209 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -134.26 -33.63 1.0 Allowed 'General case' 0 C--N 1.339 0.12 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -172.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 27.9 p -124.69 2.42 8.22 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 96.4 mttt 58.06 17.6 4.57 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.906 0.883 . . . . 0.0 112.801 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.7 140.16 97.96 Favored Pre-proline 0 N--CA 1.453 -0.294 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 175.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.29 148.78 62.4 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 122.94 2.427 . . . . 0.0 110.806 -176.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 451' ' ' LYS . . . . . 0.49 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.0 ttmt -67.86 -55.84 12.89 Favored Pre-proline 0 CA--C 1.539 0.525 0 CA-C-O 119.038 -0.506 . . . . 0.0 110.469 174.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 452' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 51.8 Cg_endo -67.5 165.88 25.72 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.665 2.244 . . . . 0.0 110.623 172.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -73.18 -10.98 60.35 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.288 -0.414 . . . . 0.0 109.936 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.181 0 CA-C-O 117.263 -1.854 . . . . 0.0 110.743 179.892 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.477 0 O4'-C1'-N19 111.835 3.635 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . 0.484 ' C6 ' ' HD2' ' B' ' 422' ' ' ARG . . . . . . . . 0 O4'--C4' 1.425 -2.307 0 O4'-C1'-N19 111.109 2.909 . 0.0 OUTLIER '7D dist 8d' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ' G' . . . . . 0.433 ' C5 ' ' CE2' ' B' ' 438' ' ' PHE . . . . . . . . 0 O4'--C4' 1.425 -2.356 0 C5'-C4'-C3' 110.626 -3.249 . 0.469 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ' U' . . . . . 0.433 " H3'" " H5'" ' A' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.055 0 C3'-C2'-C1' 103.582 2.313 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . 0.433 " H5'" " H3'" ' A' ' 4' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.414 -3.25 0 C5'-C4'-C3' 111.492 -2.672 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.07 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.2 157.5 61.43 Favored 'Trans proline' 0 N--CA 1.452 -0.968 0 C-N-CA 123.741 2.961 . . . . 0.0 111.067 -178.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 59.1 tp -156.66 153.21 28.15 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -75.37 1.58 56.15 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-O 119.972 -0.349 . . . . 0.0 112.453 -177.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 46.2 t -66.44 145.83 55.23 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 117.434 0.617 . . . . 0.0 110.881 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 168.71 161.0 17.98 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -147.48 171.83 14.92 Favored 'General case' 0 C--O 1.231 0.086 0 C-N-CA 123.456 0.702 . . . . 0.0 110.099 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 22.1 tm0? -142.34 138.28 31.13 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 176.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 422' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -147.7 156.21 42.53 Favored 'General case' 0 C--N 1.339 0.151 0 C-N-CA 122.87 0.468 . . . . 0.0 110.446 -176.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -62.19 131.39 49.28 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 177.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 105.05 -11.59 48.71 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -178.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -58.57 159.68 6.26 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 117.561 0.681 . . . . 0.0 111.768 173.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 426' ' ' TRP . . . . . 0.438 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 61.9 p-90 -151.77 148.04 27.39 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.732 -177.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -96.47 147.12 24.17 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.303 -177.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 49.8 t -61.92 129.63 91.92 Favored Pre-proline 0 N--CA 1.447 -0.598 0 C-N-CA 122.697 0.399 . . . . 0.0 110.051 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.52 -13.66 22.52 Favored 'Trans proline' 0 N--CA 1.451 -0.982 0 C-N-CA 123.441 2.76 . . . . 0.0 111.594 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -71.06 124.6 91.28 Favored Pre-proline 0 N--CA 1.452 -0.364 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.41 -17.38 44.04 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 122.55 2.166 . . . . 0.0 110.79 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.7 p -90.53 -0.45 57.67 Favored 'General case' 0 CA--C 1.527 0.066 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 175.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 42.1 t -118.91 -68.67 0.9 Allowed 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.822 0.449 . . . . 0.0 110.466 -176.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 52.5 17.61 0.81 Allowed 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.84 0.856 . . . . 0.0 112.825 -177.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -68.04 145.57 54.34 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.5 tpt -85.8 138.4 32.1 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 176.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -124.08 145.58 49.16 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.694 0.283 . . . . 0.0 110.872 -175.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 438' ' ' PHE . . . . . 0.508 ' CE1' " H2'" ' A' ' 2' ' ' ' G' . 20.5 m-85 -68.89 159.16 33.12 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 42.8 t -62.62 -31.4 72.24 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -172.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 440' ' ' TRP . . . . . 0.514 ' CZ2' " H1'" ' A' ' 1' ' ' ' U' . 52.4 p-90 -81.75 -11.84 58.84 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -176.072 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -76.38 145.89 39.1 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-N 117.938 0.335 . . . . 0.0 110.484 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 442' ' ' ASN . . . . . 0.448 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 90.2 m-20 -112.32 -5.72 14.12 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 122.784 0.434 . . . . 0.0 110.554 174.446 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -141.47 160.06 40.93 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.89 0.476 . . . . 0.0 110.007 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 42.1 t -65.3 151.49 46.08 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 123.146 0.578 . . . . 0.0 110.298 -178.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -92.22 4.64 52.83 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.278 -177.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -136.11 -33.84 0.82 Allowed 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -173.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 27.5 p -128.13 4.03 5.83 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 58.34 15.07 3.21 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.844 0.858 . . . . 0.0 112.892 176.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.35 140.77 97.86 Favored Pre-proline 0 N--CA 1.455 -0.224 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 177.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.64 150.09 68.47 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.077 2.518 . . . . 0.0 110.898 -176.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 451' ' ' LYS . . . . . 0.448 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.8 ttmt -66.3 -55.43 20.13 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-O 119.163 -0.446 . . . . 0.0 110.471 173.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 452' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 47.3 Cg_endo -67.64 169.9 14.96 Favored 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 122.705 2.27 . . . . 0.0 110.656 171.35 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -68.93 -12.05 61.25 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 CA-C-O 117.141 -1.922 . . . . 0.0 110.612 -178.574 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ' U' . . . . . 0.514 " H1'" ' CZ2' ' B' ' 440' ' ' TRP . . . . . . . . 0 O4'--C4' 1.42 -2.784 1 O4'-C1'-N19 112.513 4.313 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . 0.508 " H2'" ' CE1' ' B' ' 438' ' ' PHE . . . . . . . . 0 O4'--C4' 1.417 -2.96 0 N19-C1'-C2' 109.725 -2.297 . 0.238 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ' G' . . . . . 0.454 ' C5 ' ' CE1' ' B' ' 438' ' ' PHE . . . . . . . . 0 O4'--C4' 1.426 -2.22 0 C5'-C4'-C3' 110.325 -3.45 . 0.163 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.173 0 O4'-C1'-N19 110.604 2.404 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.307 0 C5'-C4'-C3' 110.195 -3.537 . 0.258 5q . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.174 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.89 164.84 33.17 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 123.865 3.043 . . . . 0.0 110.681 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 87.2 mt -75.31 -9.26 58.4 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.011 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 173.24 173.52 39.64 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 178.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 96.8 p -158.21 176.18 12.82 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.993 0.517 . . . . 0.0 109.93 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 75.7 -162.86 53.31 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -75.12 -6.82 51.59 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -177.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 47.93 60.04 3.82 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.325 0.65 . . . . 0.0 111.684 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 422' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -79.94 161.09 25.71 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 122.709 0.403 . . . . 0.0 110.518 -177.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -63.74 124.4 21.36 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 105.03 -9.07 46.3 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -62.35 159.71 14.75 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 117.333 0.566 . . . . 0.0 111.805 174.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 426' ' ' TRP . . . . . 0.419 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 60.2 p-90 -153.31 143.91 22.6 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 121.149 -0.22 . . . . 0.0 111.01 -177.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -90.53 148.43 22.72 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 49.6 t -63.18 129.8 93.72 Favored Pre-proline 0 N--CA 1.452 -0.33 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.4 -14.38 25.23 Favored 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 123.436 2.757 . . . . 0.0 111.391 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -71.07 124.86 91.71 Favored Pre-proline 0 CA--C 1.532 0.261 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.92 -18.11 46.63 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 122.698 2.265 . . . . 0.0 110.726 178.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.1 p -90.28 0.19 57.34 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 176.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 42.4 t -118.64 -69.38 0.85 Allowed 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.025 0.53 . . . . 0.0 110.294 -176.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 53.96 16.05 1.01 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.025 0.93 . . . . 0.0 112.489 -178.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -69.15 145.76 53.03 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 9.8 tpt -85.26 132.79 34.21 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 176.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -117.33 145.3 44.11 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.067 0.46 . . . . 0.0 110.643 -177.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -68.18 155.76 38.96 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -178.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 89.2 p -62.02 -26.54 68.3 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.099 0.56 . . . . 0.0 112.431 -173.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 57.8 p-90 -87.12 -8.6 56.84 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -176.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -81.11 151.59 28.22 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 117.729 0.24 . . . . 0.0 110.51 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 442' ' ' ASN . . . . . 0.484 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 90.7 m-20 -116.16 -4.96 11.9 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.768 0.427 . . . . 0.0 110.535 174.312 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -141.56 159.4 42.29 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.254 0.622 . . . . 0.0 109.736 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 45.8 t -63.91 149.01 48.11 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 122.882 0.473 . . . . 0.0 110.384 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -89.45 3.71 51.46 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.106 -176.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -136.9 -32.49 0.8 Allowed 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -172.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 28.0 p -129.75 3.31 4.95 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 96.1 mttt 57.64 18.12 4.5 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.903 0.881 . . . . 0.0 112.927 176.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.58 140.65 97.59 Favored Pre-proline 0 CA--C 1.531 0.212 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 175.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.9 148.05 63.35 Favored 'Trans proline' 0 N--CA 1.45 -1.036 0 C-N-CA 122.985 2.457 . . . . 0.0 111.259 -176.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 451' ' ' LYS . . . . . 0.484 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 19.1 ttmt -68.18 -55.9 11.92 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-O 119.097 -0.478 . . . . 0.0 110.64 174.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -68.33 164.31 33.01 Favored 'Trans proline' 0 N--CA 1.451 -1.027 0 C-N-CA 122.814 2.342 . . . . 0.0 110.685 172.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -76.41 -3.53 37.54 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.126 0 CA-C-O 117.324 -1.82 . . . . 0.0 110.946 -179.797 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.551 0 C5'-C4'-C3' 109.893 -3.738 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.482 0 C5'-C4'-C3' 112.097 -2.269 . 0.0 OUTLIER '7D dist 8d' 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.302 0 O4'-C1'-N19 112.188 3.988 . 0.59 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.022 0 O4'-C1'-N19 111.072 2.872 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.891 0 C5'-C4'-C3' 109.573 -3.952 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.171 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.22 -11.51 25.03 Favored 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 124.016 3.144 . . . . 0.0 111.435 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 45.1 mt -64.1 153.5 37.42 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 122.471 0.309 . . . . 0.0 111.014 -177.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -71.27 -18.64 76.87 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 177.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 44.0 t -162.37 147.7 12.6 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 122.866 0.466 . . . . 0.0 109.785 176.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . -93.12 135.7 12.77 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.314 -1.115 . . . . 0.0 110.314 178.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -161.44 153.77 20.02 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -137.17 143.17 42.26 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 176.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 422' ' ' ARG . . . . . 0.478 ' HD2' ' C6 ' ' A' ' 2' ' ' ' G' . 93.5 mtt180 -143.83 152.07 40.71 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.867 0.365 . . . . 0.0 110.606 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -63.05 128.24 34.95 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 177.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 104.2 -6.18 46.32 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -54.96 148.16 14.04 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 117.861 0.831 . . . . 0.0 111.134 171.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 426' ' ' TRP . . . . . 0.431 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 57.9 p-90 -152.95 141.85 21.17 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.025 -175.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -93.07 147.13 23.11 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -178.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 49.2 t -59.62 131.13 88.38 Favored Pre-proline 0 N--CA 1.449 -0.492 0 C-N-CA 122.875 0.47 . . . . 0.0 110.351 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.44 -13.27 27.7 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.46 2.773 . . . . 0.0 111.531 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -72.16 125.06 91.59 Favored Pre-proline 0 CA--C 1.531 0.231 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -67.58 -16.83 47.8 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.754 2.303 . . . . 0.0 110.755 177.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.8 p -91.34 1.32 57.2 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 176.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 42.5 t -120.13 -68.98 0.87 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.109 0.564 . . . . 0.0 110.416 -176.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 52.32 21.31 1.65 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.879 0.872 . . . . 0.0 112.666 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -71.19 138.08 49.24 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.984 -0.448 . . . . 0.0 110.06 178.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 2.6 tpt -80.39 100.59 8.54 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 176.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -86.63 147.46 25.9 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.867 0.365 . . . . 0.0 111.216 -177.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 13.6 m-30 -67.84 157.17 35.45 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 177.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 29.9 t -62.86 -33.12 74.6 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 123.099 0.56 . . . . 0.0 112.378 -173.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 58.2 p-90 -79.72 -10.85 59.85 Favored 'General case' 0 C--O 1.23 0.038 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -176.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -78.71 144.27 35.44 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-N 117.96 0.345 . . . . 0.0 110.23 176.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 442' ' ' ASN . . . . . 0.482 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 91.2 m-20 -110.73 -4.85 15.14 Favored 'General case' 0 C--O 1.23 0.064 0 C-N-CA 122.54 0.336 . . . . 0.0 110.458 174.321 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -140.87 159.3 42.51 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.186 0.594 . . . . 0.0 109.609 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 42.2 t -64.32 149.13 48.78 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.454 -176.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -89.49 3.38 52.59 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.885 -177.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -135.71 -33.45 0.86 Allowed 'General case' 0 CA--C 1.528 0.111 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -172.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 25.8 p -131.07 6.34 4.57 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -177.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp 57.68 16.22 3.34 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.09 0.956 . . . . 0.0 113.057 176.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.83 140.2 97.16 Favored Pre-proline 0 CA--C 1.531 0.234 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 176.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.72 149.19 66.84 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 122.992 2.461 . . . . 0.0 110.981 -176.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 451' ' ' LYS . . . . . 0.482 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 21.1 ttmt -67.37 -56.36 12.91 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-O 119.15 -0.452 . . . . 0.0 110.195 174.334 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 452' ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 46.7 Cg_endo -67.58 168.15 18.99 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.686 2.257 . . . . 0.0 110.45 172.346 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -72.27 -4.59 30.5 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 117.315 -1.825 . . . . 0.0 110.688 179.869 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 C5'-C4'-C3' 110.118 -3.588 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . 0.478 ' C6 ' ' HD2' ' B' ' 422' ' ' ARG . . . . . . . . 0 O4'--C4' 1.422 -2.599 0 O4'-C1'-N19 110.876 2.676 . 0.0 OUTLIER '7D dist 8d' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.255 0 C5'-C4'-C3' 110.662 -3.225 . 0.392 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.75 0 C3'-C2'-C1' 104.22 3.022 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.999 0 C5'-C4'-C3' 110.672 -3.219 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.104 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -56.89 151.91 46.17 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 123.883 3.055 . . . . 0.0 111.693 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 53.5 mt 56.17 16.74 2.41 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.61 0.764 . . . . 0.0 111.961 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -76.5 3.86 52.64 Favored Glycine 0 CA--C 1.529 0.927 0 N-CA-C 111.764 -0.534 . . . . 0.0 111.764 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 88.9 p -66.38 -14.16 61.71 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 117.372 0.586 . . . . 0.0 111.242 -177.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . -86.91 -8.62 75.71 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 111.982 -0.447 . . . . 0.0 111.982 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -75.18 157.57 34.36 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 117.36 0.58 . . . . 0.0 110.361 -178.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -131.71 147.62 52.52 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 175.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 422' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -145.54 154.28 42.01 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 123.009 0.524 . . . . 0.0 110.266 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -62.59 127.79 32.95 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 106.49 -10.34 42.27 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -61.81 160.02 12.71 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 117.543 0.672 . . . . 0.0 111.598 174.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 426' ' ' TRP . . . . . 0.43 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 63.4 p-90 -152.25 140.02 19.92 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 120.798 0.332 . . . . 0.0 110.608 -177.197 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -89.46 146.08 24.87 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 43.9 t -60.29 131.4 90.09 Favored Pre-proline 0 N--CA 1.447 -0.582 0 C-N-CA 122.839 0.455 . . . . 0.0 110.26 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -72.72 -13.21 26.97 Favored 'Trans proline' 0 N--CA 1.451 -1.027 0 C-N-CA 123.605 2.87 . . . . 0.0 111.716 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -71.87 125.17 91.66 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.52 -18.25 48.91 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 122.672 2.248 . . . . 0.0 110.714 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.1 p -90.32 0.76 57.1 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 176.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 42.7 t -118.5 -69.09 0.87 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.403 0.681 . . . . 0.0 110.47 -176.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 51.92 21.06 1.36 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.858 0.863 . . . . 0.0 112.793 -178.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -71.71 140.72 49.71 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 122.037 -0.415 . . . . 0.0 110.023 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -82.63 99.7 9.74 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 176.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -85.09 148.01 26.36 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.917 0.389 . . . . 0.0 110.57 -178.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -68.86 156.06 39.13 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 91.1 p -61.76 -26.91 68.37 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -172.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 57.0 p-90 -86.96 -9.64 55.14 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -176.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -79.69 147.07 32.1 Favored 'General case' 0 C--N 1.338 0.073 0 CA-C-N 117.81 0.277 . . . . 0.0 110.389 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 442' ' ' ASN . . . . . 0.489 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 89.3 m-20 -111.92 -5.08 14.38 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 122.762 0.425 . . . . 0.0 110.7 173.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -140.08 158.43 44.06 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.309 0.644 . . . . 0.0 109.574 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 48.7 t -64.67 149.55 48.84 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 122.796 0.438 . . . . 0.0 110.676 -176.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -92.49 7.49 42.9 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.196 -176.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -137.81 -33.59 0.71 Allowed 'General case' 0 C--N 1.339 0.146 0 O-C-N 122.394 -0.191 . . . . 0.0 111.491 -174.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 25.7 p -131.29 4.38 4.36 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 122.738 0.415 . . . . 0.0 111.872 -178.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 67.6 mttm 57.46 17.51 3.9 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.941 0.897 . . . . 0.0 113.349 175.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.79 142.29 98.08 Favored Pre-proline 0 N--CA 1.453 -0.284 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 175.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.25 147.73 60.32 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.082 2.522 . . . . 0.0 111.231 -176.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 451' ' ' LYS . . . . . 0.489 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 19.8 ttmt -66.92 -57.07 12.13 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-O 118.91 -0.567 . . . . 0.0 110.495 175.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 452' ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 52.6 Cg_endo -67.83 165.78 26.68 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 122.799 2.333 . . . . 0.0 110.528 173.327 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -76.89 -3.97 41.4 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 CA-C-O 117.313 -1.826 . . . . 0.0 110.818 -179.564 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.789 0 C5'-C4'-C3' 109.742 -3.839 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . 0.524 " H2'" H5'' ' A' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C5'-C4'-C3' 111.519 -2.654 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ' G' . . . . . 0.524 H5'' " H2'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.208 0 C4'-C3'-C2' 99.687 -3.013 . 0.01 7r . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ' U' . . . . . 0.406 " H3'" " H5'" ' A' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.306 0 C5'-C4'-C3' 109.795 -3.804 . 0.101 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . 0.406 " H5'" " H3'" ' A' ' 4' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.414 -3.29 0 C5'-C4'-C3' 110.138 -3.575 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.136 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.05 160.45 49.84 Favored 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 123.903 3.069 . . . . 0.0 110.759 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 78.3 mt -73.03 151.01 41.92 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.296 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -83.77 -7.5 85.76 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 70.0 m -75.36 163.41 27.48 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.792 0.437 . . . . 0.0 110.729 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 76.45 176.85 42.93 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 -76.13 167.34 22.04 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.782 0.325 . . . . 0.0 110.571 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -147.21 140.53 25.38 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.161 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 422' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -143.11 157.0 44.92 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 123.436 0.694 . . . . 0.0 109.952 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -70.65 -2.81 15.57 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -175.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . -99.27 -8.42 53.21 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 178.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -65.02 166.44 9.37 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.043 0.537 . . . . 0.0 112.088 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 426' ' ' TRP . . . . . 0.431 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 67.0 p-90 -149.85 142.12 24.17 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.96 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -86.61 144.85 26.98 Favored 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 48.5 t -62.25 130.75 93.28 Favored Pre-proline 0 N--CA 1.448 -0.557 0 C-N-CA 123.123 0.569 . . . . 0.0 109.776 178.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.81 -13.11 26.74 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.816 3.011 . . . . 0.0 111.783 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -72.11 125.2 91.56 Favored Pre-proline 0 CA--C 1.535 0.376 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.51 -17.21 48.6 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.717 2.278 . . . . 0.0 110.66 177.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.6 p -91.47 0.52 57.5 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 176.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 43.9 t -119.84 -68.27 0.92 Allowed 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.958 0.503 . . . . 0.0 110.374 -176.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 52.53 15.72 0.54 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.249 1.019 . . . . 0.0 112.966 -178.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -70.41 142.39 52.05 Favored 'General case' 0 N--CA 1.456 -0.136 0 O-C-N 122.039 -0.413 . . . . 0.0 110.202 177.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 7.1 ttm -83.97 136.73 33.95 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 173.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -119.82 146.95 45.23 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.239 0.616 . . . . 0.0 110.23 -174.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -62.11 153.83 28.85 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 94.2 p -62.32 -26.62 68.53 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 122.986 0.514 . . . . 0.0 112.066 -171.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -87.97 -10.0 51.79 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -176.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -75.46 143.98 42.34 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 117.975 0.352 . . . . 0.0 110.233 176.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 442' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -108.43 -6.11 16.34 Favored 'General case' 0 C--N 1.334 -0.103 0 C-N-CA 122.537 0.335 . . . . 0.0 110.382 175.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -141.26 159.37 42.37 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 122.973 0.509 . . . . 0.0 110.556 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 52.4 t -64.7 145.78 55.7 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.018 0.527 . . . . 0.0 110.499 -177.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -80.44 -1.25 40.71 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.035 0.534 . . . . 0.0 111.044 -177.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -134.67 -41.14 0.78 Allowed 'General case' 0 C--N 1.34 0.185 0 CA-C-N 118.241 0.473 . . . . 0.0 111.809 -172.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 27.5 p -115.63 1.12 13.47 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.337 0.255 . . . . 0.0 111.598 -178.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm 57.83 18.69 5.1 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.875 0.87 . . . . 0.0 112.788 175.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -66.71 143.03 97.89 Favored Pre-proline 0 CA--C 1.532 0.273 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 175.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.58 148.66 66.74 Favored 'Trans proline' 0 N--CA 1.45 -1.054 0 C-N-CA 122.93 2.42 . . . . 0.0 111.16 -176.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 451' ' ' LYS . . . . . 0.431 ' HB2' ' CZ2' ' B' ' 426' ' ' TRP . 19.7 ttmt -67.0 -55.49 16.11 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-O 119.323 -0.37 . . . . 0.0 110.427 174.379 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 452' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 53.0 Cg_endo -67.59 168.98 16.79 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.596 2.198 . . . . 0.0 110.676 172.191 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -70.65 -4.43 23.38 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 117.379 -1.789 . . . . 0.0 110.525 -179.92 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.954 0 O4'-C1'-N19 111.613 3.413 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.383 0 N19-C1'-C2' 109.377 -2.514 . 0.0 OUTLIER '7D dist 8d' 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.682 0 C5'-C4'-C3' 110.375 -3.417 . 0.073 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 0 C3'-C2'-C1' 103.382 2.091 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.058 0 O4'-C1'-N19 112.092 3.892 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.998 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.11 163.73 37.48 Favored 'Trans proline' 0 N--CA 1.452 -0.955 0 C-N-CA 123.66 2.907 . . . . 0.0 110.484 177.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 86.3 mt -73.78 -6.47 47.18 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.918 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 83.66 -176.96 52.48 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.677 -0.569 . . . . 0.0 111.677 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 37.2 t -68.52 161.68 27.33 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.217 0.607 . . . . 0.0 111.207 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . -73.0 -6.74 68.81 Favored Glycine 0 CA--C 1.532 1.151 0 N-CA-C 111.663 -0.575 . . . . 0.0 111.663 178.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 420' ' ' GLN . . . . . 0.543 ' HG3' ' H21' ' A' ' 2' ' ' ' G' . 7.2 tp-100 -61.68 128.48 36.47 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 117.372 0.586 . . . . 0.0 109.624 176.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -152.62 144.88 23.93 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.266 0.226 . . . . 0.0 110.538 -177.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 422' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -143.67 157.77 44.16 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 123.572 0.749 . . . . 0.0 109.734 -179.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -62.35 128.7 37.3 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 105.9 -12.02 45.43 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 110.779 -0.929 . . . . 0.0 110.779 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -60.81 162.42 6.81 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 117.41 0.605 . . . . 0.0 112.291 174.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 426' ' ' TRP . . . . . 0.436 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 59.0 p-90 -153.52 137.84 16.63 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.926 0.393 . . . . 0.0 110.708 -178.686 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -87.53 146.08 25.95 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 38.9 t -59.56 131.51 88.32 Favored Pre-proline 0 N--CA 1.45 -0.457 0 C-N-CA 122.674 0.39 . . . . 0.0 110.271 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.1 -14.62 28.97 Favored 'Trans proline' 0 N--CA 1.45 -1.041 0 C-N-CA 123.469 2.779 . . . . 0.0 111.376 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -71.0 125.04 91.98 Favored Pre-proline 0 N--CA 1.452 -0.333 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -67.09 -17.19 50.67 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 122.745 2.297 . . . . 0.0 110.947 178.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.3 p -90.99 -2.12 57.74 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 176.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 42.6 t -115.87 -67.4 1.0 Allowed 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.607 0.363 . . . . 0.0 110.7 -175.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 51.75 20.54 1.16 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.033 0.933 . . . . 0.0 113.028 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -72.0 143.3 49.23 Favored 'General case' 0 N--CA 1.455 -0.188 0 O-C-N 121.973 -0.454 . . . . 0.0 110.502 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -82.94 100.2 10.27 Favored 'General case' 0 C--O 1.23 0.078 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 175.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -85.08 147.2 26.77 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 122.44 0.296 . . . . 0.0 110.382 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -70.7 158.91 35.43 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 42.1 t -62.49 -28.12 69.61 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 122.967 0.507 . . . . 0.0 112.299 -173.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 -85.74 -8.72 57.99 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -177.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 89.9 mtt-85 -80.45 150.72 29.62 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 117.908 0.322 . . . . 0.0 110.605 175.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 442' ' ' ASN . . . . . 0.499 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 88.6 m-20 -117.5 -7.29 11.13 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 122.715 0.406 . . . . 0.0 110.308 173.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 29.6 mp0 -135.71 158.06 45.32 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.577 0.751 . . . . 0.0 109.679 177.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 51.7 t -65.73 147.5 53.28 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 120.986 0.422 . . . . 0.0 110.356 -177.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -84.85 -2.48 57.83 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.032 -177.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -134.06 -30.78 1.18 Allowed 'General case' 0 C--O 1.233 0.195 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -171.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 26.8 p -129.06 3.19 5.26 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.477 0.311 . . . . 0.0 111.754 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 61.7 mttp 58.12 17.6 4.64 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 124.129 0.971 . . . . 0.0 113.057 175.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -66.5 141.82 97.31 Favored Pre-proline 0 N--CA 1.452 -0.342 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 175.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.76 149.85 67.47 Favored 'Trans proline' 0 N--CA 1.45 -1.042 0 C-N-CA 123.126 2.55 . . . . 0.0 110.899 -177.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 451' ' ' LYS . . . . . 0.499 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 19.5 ttmt -68.36 -56.76 9.84 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-O 119.202 -0.428 . . . . 0.0 110.348 174.607 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -68.33 165.59 28.29 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 122.75 2.3 . . . . 0.0 110.607 173.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -76.49 -11.84 59.94 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.78 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.146 0 CA-C-O 117.317 -1.824 . . . . 0.0 110.755 179.572 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.534 0 O4'-C1'-N19 111.285 3.085 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . 0.543 ' H21' ' HG3' ' B' ' 420' ' ' GLN . . . . . . . . 0 O4'--C4' 1.424 -2.44 0 C5'-C4'-C3' 111.478 -2.681 . 0.011 8d . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.946 1 C5'-C4'-C3' 109.299 -4.134 . 0.039 7r . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C5'-C4'-C3' 109.565 -3.957 . 0.308 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 C5'-C4'-C3' 110.114 -3.59 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.14 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.5 -13.15 27.53 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 123.783 2.989 . . . . 0.0 111.249 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 63.4 tp -65.96 150.89 47.92 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.142 0.577 . . . . 0.0 110.429 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 83.46 -173.97 51.74 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 77.6 p -68.64 147.41 51.93 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.888 0.375 . . . . 0.0 110.533 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . -89.4 2.93 83.65 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 112.247 -0.341 . . . . 0.0 112.247 -178.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -142.55 167.43 22.1 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 117.58 0.69 . . . . 0.0 110.677 -176.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -138.99 140.34 38.17 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 175.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 422' ' ' ARG . . . . . 0.504 ' HD2' ' C6 ' ' A' ' 2' ' ' ' G' . 91.1 mtt180 -143.15 152.33 41.68 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.231 0.539 . . . . 0.0 110.792 -176.247 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -62.51 129.22 39.65 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 103.43 -7.13 50.51 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -55.17 149.72 11.99 Favored 'General case' 0 C--N 1.338 0.08 0 CA-C-N 117.629 0.715 . . . . 0.0 111.395 171.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 426' ' ' TRP . . . . . 0.426 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 55.9 p-90 -153.44 145.26 23.51 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.05 -176.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -93.89 149.23 21.41 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 47.8 t -62.2 130.13 92.73 Favored Pre-proline 0 N--CA 1.452 -0.343 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -73.92 -13.89 23.96 Favored 'Trans proline' 0 N--CA 1.451 -0.982 0 C-N-CA 123.656 2.904 . . . . 0.0 111.737 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 430' ' ' ASN . . . . . 0.41 ' HB3' ' HB3' ' B' ' 433' ' ' CYS . 7.6 t-20 -71.27 124.98 91.86 Favored Pre-proline 0 CA--C 1.533 0.322 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -179.304 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -67.76 -17.08 47.3 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 122.619 2.213 . . . . 0.0 110.593 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 1.5 p -92.54 6.43 47.24 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 176.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 433' ' ' CYS . . . . . 0.41 ' HB3' ' HB3' ' B' ' 430' ' ' ASN . 45.6 t -126.04 -68.87 0.8 Allowed 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.894 0.477 . . . . 0.0 110.487 -177.081 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 53.61 15.78 0.83 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.022 0.929 . . . . 0.0 112.675 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -67.48 145.7 54.71 Favored 'General case' 0 N--CA 1.457 -0.096 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.3 tpt -85.28 132.43 34.26 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 176.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -118.91 145.62 45.59 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.899 0.38 . . . . 0.0 110.96 -176.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -71.77 158.96 35.16 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 38.5 t -62.36 -31.25 71.87 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.969 0.507 . . . . 0.0 112.109 -173.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 54.2 p-90 -82.12 -10.02 59.33 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -177.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -79.5 148.67 31.74 Favored 'General case' 0 C--N 1.34 0.166 0 CA-C-N 117.828 0.285 . . . . 0.0 110.443 176.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 442' ' ' ASN . . . . . 0.414 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 91.1 m-20 -114.25 -5.17 12.99 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.002 0.521 . . . . 0.0 110.291 173.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -140.51 160.09 40.76 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.262 0.625 . . . . 0.0 110.105 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 50.8 t -64.42 148.35 50.68 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.268 -179.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -88.03 4.28 45.73 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.736 0.415 . . . . 0.0 109.961 -176.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -136.85 -32.42 0.81 Allowed 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -172.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 26.9 p -130.22 2.7 4.71 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.616 0.367 . . . . 0.0 111.737 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp 57.03 18.72 4.17 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 177.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.67 139.48 97.77 Favored Pre-proline 0 N--CA 1.454 -0.227 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 174.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.35 148.17 67.14 Favored 'Trans proline' 0 N--CA 1.449 -1.12 0 C-N-CA 123.039 2.493 . . . . 0.0 111.051 -176.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 451' ' ' LYS . . . . . 0.426 ' HB2' ' CZ2' ' B' ' 426' ' ' TRP . 20.9 ttmt -67.08 -55.54 15.73 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-O 119.166 -0.445 . . . . 0.0 110.543 174.448 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 452' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 52.0 Cg_endo -67.43 170.79 12.85 Favored 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 122.926 2.418 . . . . 0.0 110.805 171.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -71.91 -3.8 24.56 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.249 0 CA-C-O 117.219 -1.878 . . . . 0.0 110.396 -179.784 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.493 0 C5'-C4'-C3' 110.045 -3.636 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . 0.504 ' C6 ' ' HD2' ' B' ' 422' ' ' ARG . . . . . . . . 0 O4'--C4' 1.423 -2.467 0 O4'-C1'-N19 110.963 2.763 . 0.0 OUTLIER '7D dist 8d' 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ' G' . . . . . 0.434 " H4'" " H5'" ' A' ' 4' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 C5'-C4'-C3' 110.475 -3.35 . 0.585 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ' U' . . . . . 0.434 " H5'" " H4'" ' A' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.877 0 O4'-C1'-N19 111.339 3.139 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 C5'-C4'-C3' 110.295 -3.47 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.3 0 N-CA-C 111.539 -0.624 . . . . 0.0 111.539 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.26 163.2 38.77 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 123.937 3.092 . . . . 0.0 110.965 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 67.2 tp -69.77 -23.63 63.39 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.513 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 69.3 -164.95 50.05 Favored Glycine 0 CA--C 1.529 0.936 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 47.8 t -69.02 156.03 39.33 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 73.14 -157.52 52.31 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -152.7 161.24 42.83 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 122.536 0.334 . . . . 0.0 110.361 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -153.69 142.8 21.33 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 122.745 0.418 . . . . 0.0 109.966 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 422' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -144.72 155.35 43.51 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 123.113 0.565 . . . . 0.0 110.003 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -63.78 126.13 26.59 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 108.68 -9.35 34.81 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -59.74 155.67 15.47 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 117.889 0.845 . . . . 0.0 111.564 173.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 426' ' ' TRP . . . . . 0.43 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 53.2 p-90 -153.27 144.51 23.09 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.148 -177.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -93.89 149.81 20.91 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 49.7 t -61.55 130.35 91.96 Favored Pre-proline 0 N--CA 1.452 -0.36 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -73.89 -13.78 24.07 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 123.496 2.798 . . . . 0.0 111.631 -179.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -72.36 125.74 91.26 Favored Pre-proline 0 CA--C 1.532 0.271 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -68.34 -18.45 44.3 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 122.821 2.347 . . . . 0.0 110.548 178.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 1.9 p -89.45 0.27 56.98 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 175.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 42.3 t -119.8 -71.61 0.73 Allowed 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.09 0.556 . . . . 0.0 110.618 -176.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 54.38 17.97 1.74 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.847 0.859 . . . . 0.0 112.744 -177.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -68.61 149.59 48.98 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 176.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.4 tpt -90.73 127.44 36.32 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -115.4 145.75 42.25 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.129 0.49 . . . . 0.0 110.777 -175.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 438' ' ' PHE . . . . . 0.404 ' CE2' ' C4 ' ' A' ' 3' ' ' ' G' . 13.8 m-85 -71.05 159.27 35.04 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 178.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 40.7 t -63.29 -30.4 71.54 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -174.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 57.1 p-90 -80.07 -11.65 59.75 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -177.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -78.37 147.1 34.26 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 117.94 0.336 . . . . 0.0 110.362 174.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 442' ' ' ASN . . . . . 0.415 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 91.0 m-20 -113.22 -5.95 13.63 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 122.668 0.387 . . . . 0.0 110.61 174.253 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -141.66 159.31 42.48 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.234 0.614 . . . . 0.0 110.164 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 47.6 t -64.17 152.25 41.17 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 123.26 0.624 . . . . 0.0 110.802 -177.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -92.21 3.54 55.13 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 122.885 0.474 . . . . 0.0 109.914 -176.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -135.62 -32.81 0.89 Allowed 'General case' 0 C--O 1.233 0.202 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -172.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 26.4 p -130.59 3.43 4.58 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.601 0.36 . . . . 0.0 111.741 -177.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 96.6 mttt 56.49 18.35 3.48 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.9 0.88 . . . . 0.0 113.186 176.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.91 139.94 97.94 Favored Pre-proline 0 N--CA 1.454 -0.238 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.96 147.42 61.55 Favored 'Trans proline' 0 N--CA 1.449 -1.119 0 C-N-CA 122.95 2.434 . . . . 0.0 111.091 -176.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 451' ' ' LYS . . . . . 0.43 ' HE2' ' NE1' ' B' ' 426' ' ' TRP . 20.7 ttmt -65.89 -56.44 17.54 Favored Pre-proline 0 CA--C 1.535 0.382 0 CA-C-O 119.258 -0.401 . . . . 0.0 110.352 174.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 452' ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 56.1 Cg_endo -68.31 168.04 20.54 Favored 'Trans proline' 0 N--CA 1.449 -1.137 0 C-N-CA 122.85 2.366 . . . . 0.0 110.775 172.21 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -72.23 -4.22 28.21 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 CA-C-O 117.068 -1.962 . . . . 0.0 110.428 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.605 0 C5'-C4'-C3' 109.857 -3.762 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 N19-C1'-C2' 109.369 -2.519 . 0.01 8d . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ' G' . . . . . 0.404 ' C4 ' ' CE2' ' B' ' 438' ' ' PHE . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 O4'-C1'-N19 111.881 3.681 . 0.526 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C5'-C4'-C3' 110.538 -3.308 . 0.315 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.659 0 C5'-C4'-C3' 110.523 -3.318 . 0.068 1o . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.059 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -57.94 159.93 16.69 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 124.196 3.264 . . . . 0.0 111.877 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 80.5 mt -71.72 153.96 41.67 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.369 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -69.44 147.17 45.14 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 20.9 t 57.06 16.45 2.9 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.331 0.652 . . . . 0.0 111.824 -176.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 76.97 177.06 44.8 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -70.6 158.64 35.8 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 122.63 0.372 . . . . 0.0 110.282 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -151.92 140.27 20.48 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 116.799 -0.182 . . . . 0.0 110.625 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 422' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -142.57 156.24 45.08 Favored 'General case' 0 C--N 1.339 0.116 0 C-N-CA 123.676 0.791 . . . . 0.0 109.433 177.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -69.62 -1.25 8.36 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -173.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . -105.53 -6.41 38.39 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -61.39 160.66 10.5 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 122.849 0.46 . . . . 0.0 112.062 -178.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 426' ' ' TRP . . . . . 0.436 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 61.6 p-90 -152.84 139.22 18.53 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -89.4 146.6 24.56 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 48.6 t -61.04 131.03 91.77 Favored Pre-proline 0 N--CA 1.45 -0.472 0 C-N-CA 122.949 0.5 . . . . 0.0 109.922 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -73.07 -13.52 26.09 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.479 2.786 . . . . 0.0 111.226 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -71.02 124.6 91.29 Favored Pre-proline 0 CA--C 1.531 0.227 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -67.66 -17.31 47.85 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 122.56 2.174 . . . . 0.0 110.637 178.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.4 p -90.24 1.0 56.95 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 176.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 46.9 t -120.41 -68.65 0.89 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 122.926 0.491 . . . . 0.0 110.599 -176.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 52.47 21.46 1.77 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.854 0.862 . . . . 0.0 112.61 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -71.55 142.16 50.08 Favored 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 122.131 -0.355 . . . . 0.0 110.632 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -83.58 100.44 10.81 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.308 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -85.63 147.74 26.24 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 122.617 0.367 . . . . 0.0 110.61 -179.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -69.81 159.54 33.41 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 46.5 t -62.1 -31.97 72.48 Favored 'General case' 0 CA--C 1.527 0.089 0 C-N-CA 123.173 0.589 . . . . 0.0 112.107 -173.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 53.1 p-90 -81.71 -11.41 59.06 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -176.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -77.71 146.25 36.1 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 117.946 0.339 . . . . 0.0 110.749 176.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 442' ' ' ASN . . . . . 0.435 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 88.8 m-20 -112.12 -6.3 14.16 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 122.828 0.451 . . . . 0.0 110.319 174.518 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -139.98 159.26 42.58 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.212 0.605 . . . . 0.0 109.907 178.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 50.2 t -64.53 145.33 56.3 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.019 0.438 . . . . 0.0 110.575 -178.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -80.95 -1.81 45.18 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.928 -177.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -133.99 -31.32 1.15 Allowed 'General case' 0 C--O 1.233 0.2 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -171.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 24.9 p -129.88 4.27 4.94 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp 56.32 18.58 3.46 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 176.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.5 139.55 97.76 Favored Pre-proline 0 N--CA 1.454 -0.264 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 174.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.57 146.69 62.18 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.786 2.324 . . . . 0.0 111.137 -175.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 451' ' ' LYS . . . . . 0.436 ' HB2' ' CZ2' ' B' ' 426' ' ' TRP . 20.0 ttmt -66.63 -55.45 18.26 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.282 174.426 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 452' ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 49.2 Cg_endo -67.12 170.81 12.4 Favored 'Trans proline' 0 N--CA 1.45 -1.04 0 C-N-CA 122.823 2.349 . . . . 0.0 110.689 171.667 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -70.2 -4.14 20.24 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 117.082 -1.954 . . . . 0.0 110.419 179.569 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 1 O4'-C1'-N19 112.448 4.248 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.225 0 O4'-C1'-N19 110.765 2.565 . 0.0 OUTLIER '7D dist 8d' 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.533 0 O4'-C1'-N19 111.741 3.541 . 0.564 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 0 C5'-C4'-C3' 110.163 -3.558 . 0.111 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.717 1 O4'-C1'-N19 112.428 4.228 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.069 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -69.64 162.56 41.56 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 123.95 3.1 . . . . 0.0 110.613 178.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.77 153.24 42.39 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-O 120.755 0.312 . . . . 0.0 110.306 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -74.73 140.93 27.71 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 35.0 t -163.21 163.58 25.44 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 122.687 0.395 . . . . 0.0 110.186 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 104.37 5.7 42.6 Favored Glycine 0 CA--C 1.533 1.214 0 CA-C-O 119.715 -0.492 . . . . 0.0 112.122 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 -135.43 150.39 49.85 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 117.525 0.663 . . . . 0.0 110.175 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -157.78 138.21 12.8 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.896 0.478 . . . . 0.0 109.821 177.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 422' ' ' ARG . . . . . 0.496 ' HD2' ' C6 ' ' A' ' 2' ' ' ' G' . 93.4 mtt180 -144.34 152.97 41.49 Favored 'General case' 0 CA--C 1.522 -0.115 0 C-N-CA 122.641 0.376 . . . . 0.0 110.366 177.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -62.44 127.81 33.06 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 105.62 -7.52 42.55 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -55.83 150.34 13.2 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-N 117.584 0.692 . . . . 0.0 111.654 173.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 426' ' ' TRP . . . . . 0.429 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 58.5 p-90 -153.86 146.97 24.6 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.151 -176.294 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -95.63 148.5 22.47 Favored 'General case' 0 C--N 1.338 0.091 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.082 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 49.4 t -61.75 129.79 91.8 Favored Pre-proline 0 N--CA 1.449 -0.501 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.19 -13.46 23.37 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 123.622 2.881 . . . . 0.0 111.482 -178.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -71.95 125.02 91.67 Favored Pre-proline 0 N--CA 1.454 -0.265 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -179.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.69 -19.35 41.72 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 122.941 2.427 . . . . 0.0 110.54 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.3 p -89.29 0.44 56.8 Favored 'General case' 0 C--N 1.339 0.116 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 176.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 42.3 t -118.24 -68.77 0.89 Allowed 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 122.952 0.501 . . . . 0.0 110.543 -177.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 53.06 17.12 0.86 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.208 1.003 . . . . 0.0 112.799 -177.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -68.34 144.42 54.8 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 177.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.9 tpt -84.55 135.3 34.27 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 175.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -121.05 144.92 48.29 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 121.052 0.453 . . . . 0.0 110.88 -176.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -67.88 155.86 38.45 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 90.1 p -62.24 -27.63 69.13 Favored 'General case' 0 C--O 1.231 0.093 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -172.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -86.33 -9.02 57.22 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -176.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -78.64 147.44 33.6 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 175.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 442' ' ' ASN . . . . . 0.461 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 90.2 m-20 -112.8 -4.98 13.92 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 122.751 0.421 . . . . 0.0 110.608 174.484 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -142.34 159.6 41.92 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.043 0.537 . . . . 0.0 110.089 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 43.3 t -64.44 148.53 50.33 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 122.878 0.471 . . . . 0.0 110.238 -177.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -89.51 5.04 47.23 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.196 -0.457 . . . . 0.0 109.935 -176.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -136.85 -33.36 0.78 Allowed 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -172.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 27.8 p -129.39 3.93 5.14 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -178.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp 58.6 15.71 3.82 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.911 0.884 . . . . 0.0 112.693 176.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.99 140.95 98.26 Favored Pre-proline 0 CA--C 1.531 0.212 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 176.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.72 149.23 66.9 Favored 'Trans proline' 0 N--CA 1.449 -1.092 0 C-N-CA 123.106 2.537 . . . . 0.0 110.971 -176.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 451' ' ' LYS . . . . . 0.461 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.4 ttmt -67.33 -55.46 15.25 Favored Pre-proline 0 CA--C 1.535 0.393 0 C-N-CA 122.639 0.376 . . . . 0.0 110.295 173.344 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 452' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 55.5 Cg_endo -68.44 178.4 3.8 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 122.978 2.452 . . . . 0.0 110.539 171.132 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 16.0 p30 -71.68 -6.48 41.41 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 CA-C-O 117.28 -1.845 . . . . 0.0 110.816 -179.724 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 C5'-C4'-C3' 110.076 -3.616 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . 0.496 ' C6 ' ' HD2' ' B' ' 422' ' ' ARG . . . . . . . . 0 O4'--C4' 1.425 -2.312 0 O4'-C1'-N19 111.082 2.882 . 0.0 OUTLIER '7D dist 8d' 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.502 0 C5'-C4'-C3' 111.129 -2.914 . 0.397 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.299 0 C3'-C2'-C1' 103.901 2.668 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.742 0 C5'-C4'-C3' 111.693 -2.538 . 0.01 5j . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.237 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.13 163.96 35.75 Favored 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 123.901 3.068 . . . . 0.0 110.936 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -74.15 -2.78 26.11 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 77.13 -172.5 55.1 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.811 -0.516 . . . . 0.0 111.811 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 45.6 t -77.55 156.94 30.6 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 122.916 0.487 . . . . 0.0 110.586 -178.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . -79.5 -13.17 82.92 Favored Glycine 0 CA--C 1.529 0.936 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 176.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -77.11 156.42 31.68 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 117.56 0.68 . . . . 0.0 110.513 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -140.77 137.59 33.49 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.45 0.7 . . . . 0.0 109.553 175.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 422' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -143.83 155.04 43.99 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.031 0.532 . . . . 0.0 109.889 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -62.26 126.85 28.75 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -178.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 103.14 -8.2 53.12 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 177.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -56.8 154.07 9.8 Favored 'General case' 0 C--N 1.341 0.204 0 CA-C-N 117.677 0.738 . . . . 0.0 112.035 173.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 426' ' ' TRP . . . . . 0.441 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 60.2 p-90 -153.75 140.55 19.09 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.934 -177.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -88.24 148.89 24.13 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 36.4 t -63.45 130.8 94.54 Favored Pre-proline 0 N--CA 1.449 -0.502 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 178.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.9 -12.87 24.08 Favored 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 123.322 2.681 . . . . 0.0 111.805 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -71.6 125.5 91.73 Favored Pre-proline 0 CA--C 1.532 0.285 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -69.0 -19.23 40.02 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 122.729 2.286 . . . . 0.0 111.212 -178.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.6 p -89.92 -7.15 54.82 Favored 'General case' 0 C--N 1.338 0.104 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 176.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 41.9 t -106.8 -69.98 0.81 Allowed 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.03 0.532 . . . . 0.0 110.304 -176.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 53.01 17.55 0.93 Allowed 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.879 0.871 . . . . 0.0 112.768 -177.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -67.08 144.51 56.07 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 8.8 tpt -87.55 108.15 18.92 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -92.76 146.9 23.3 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.084 0.469 . . . . 0.0 110.996 -176.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -70.28 158.97 34.92 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 31.4 t -61.78 -32.98 73.29 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 123.046 0.538 . . . . 0.0 112.372 -173.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 53.3 p-90 -81.88 -9.39 59.61 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -175.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -80.08 151.77 29.7 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 117.915 0.325 . . . . 0.0 110.84 177.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 442' ' ' ASN . . . . . 0.485 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 91.3 m-20 -116.08 -6.8 11.93 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 122.869 0.468 . . . . 0.0 110.584 174.121 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -140.91 160.26 40.45 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.161 0.585 . . . . 0.0 109.746 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 44.2 t -64.69 150.05 47.93 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 122.874 0.47 . . . . 0.0 110.756 -177.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -92.35 4.23 53.8 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.344 -177.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -135.6 -32.63 0.9 Allowed 'General case' 0 C--N 1.341 0.2 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -172.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 26.2 p -131.51 3.47 4.22 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.542 0.337 . . . . 0.0 111.674 -178.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm 57.99 17.69 4.58 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 124.075 0.95 . . . . 0.0 113.152 176.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.68 140.49 97.43 Favored Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 176.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.06 149.45 65.0 Favored 'Trans proline' 0 N--CA 1.45 -1.054 0 C-N-CA 123.014 2.476 . . . . 0.0 111.004 -176.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 451' ' ' LYS . . . . . 0.485 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.3 ttmt -68.92 -56.1 9.68 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-O 119.288 -0.387 . . . . 0.0 110.36 174.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 452' ' ' PRO . . . . . 0.408 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 53.5 Cg_endo -67.74 168.99 17.01 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.92 2.413 . . . . 0.0 110.584 171.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -70.72 -12.11 61.35 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 117.475 -1.736 . . . . 0.0 110.972 -178.672 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.761 0 O4'-C1'-N19 111.79 3.59 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . 0.462 " H2'" H5'' ' A' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.493 0 C5'-C4'-C3' 111.633 -2.578 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ' G' . . . . . 0.462 H5'' " H2'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.011 0 C5'-C4'-C3' 111.186 -2.876 . 0.039 7r . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ' U' . . . . . 0.423 " H3'" " H5'" ' A' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.371 0 C5'-C4'-C3' 110.231 -3.513 . 0.095 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . 0.423 " H5'" " H3'" ' A' ' 4' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.413 -3.296 0 C5'-C4'-C3' 110.266 -3.489 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.177 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.76 -12.47 26.52 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.76 2.973 . . . . 0.0 111.688 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 80.5 mt -71.66 157.66 37.55 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 121.032 0.444 . . . . 0.0 110.828 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -79.67 -3.35 88.98 Favored Glycine 0 CA--C 1.529 0.921 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 178.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 45.9 t -65.44 152.4 44.04 Favored 'General case' 0 C--N 1.339 0.148 0 CA-C-N 117.225 0.512 . . . . 0.0 110.493 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 175.19 -158.93 26.86 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 -178.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 54.67 28.73 10.45 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.423 0.689 . . . . 0.0 112.024 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -59.89 149.62 31.03 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.014 0.525 . . . . 0.0 110.358 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 422' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -131.57 151.8 51.3 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -70.81 -1.72 12.54 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -174.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . -102.14 -5.73 49.39 Favored Glycine 0 CA--C 1.529 0.935 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -62.3 160.73 12.64 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.022 0.529 . . . . 0.0 112.254 -178.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 426' ' ' TRP . . . . . 0.429 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 63.7 p-90 -152.29 138.43 18.28 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.754 0.311 . . . . 0.0 110.296 178.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -87.77 145.51 26.08 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -178.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 49.8 t -60.19 131.99 90.03 Favored Pre-proline 0 N--CA 1.449 -0.519 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 178.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.26 -14.06 25.6 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.429 2.753 . . . . 0.0 111.625 -178.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -70.79 124.92 91.8 Favored Pre-proline 0 CA--C 1.532 0.253 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.01 -16.35 49.25 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 122.623 2.215 . . . . 0.0 110.401 176.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 1.6 p -93.39 8.25 41.26 Favored 'General case' 0 C--O 1.231 0.08 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 176.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 46.3 t -127.99 -68.77 0.76 Allowed 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 122.959 0.503 . . . . 0.0 110.49 -177.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 52.39 20.03 1.31 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.181 0.992 . . . . 0.0 112.723 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -70.41 139.1 51.76 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 122.147 -0.346 . . . . 0.0 110.334 178.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.66 100.05 8.48 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 176.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -83.88 148.41 26.98 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.882 0.372 . . . . 0.0 110.928 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -68.76 157.33 36.6 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 43.1 t -62.34 -32.72 73.53 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -173.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -80.08 -11.43 59.76 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -176.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -78.43 146.94 34.22 Favored 'General case' 0 C--N 1.341 0.208 0 O-C-N 122.006 -0.434 . . . . 0.0 110.64 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 442' ' ' ASN . . . . . 0.461 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 89.8 m-20 -111.87 -5.57 14.36 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 122.715 0.406 . . . . 0.0 110.512 174.03 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -141.81 159.89 41.3 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.245 0.618 . . . . 0.0 109.84 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 51.5 t -65.25 147.65 53.07 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.58 -176.234 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -83.8 -1.64 54.7 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.975 -177.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -134.52 -35.93 0.88 Allowed 'General case' 0 CA--C 1.527 0.095 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -171.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 26.4 p -122.94 2.72 9.39 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.535 0.334 . . . . 0.0 111.769 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm 57.66 17.5 4.1 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.903 0.881 . . . . 0.0 113.21 175.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -66.27 141.83 97.5 Favored Pre-proline 0 CA--C 1.533 0.314 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 150.43 67.9 Favored 'Trans proline' 0 N--CA 1.449 -1.09 0 C-N-CA 123.116 2.544 . . . . 0.0 111.043 -175.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 451' ' ' LYS . . . . . 0.461 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 21.4 ttmt -67.78 -56.34 11.98 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-O 119.135 -0.46 . . . . 0.0 110.208 174.002 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -67.33 169.27 15.79 Favored 'Trans proline' 0 N--CA 1.455 -0.769 0 C-N-CA 122.719 2.279 . . . . 0.0 110.678 171.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -71.81 -3.94 25.06 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.28 0 CA-C-O 117.295 -1.836 . . . . 0.0 110.671 -179.533 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C5'-C4'-C3' 109.861 -3.759 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.388 0 O4'-C1'-N19 110.609 2.409 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.478 1 O4'-C1'-N19 112.49 4.29 . 0.59 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.904 0 C1'-O4'-C4' 106.838 -3.069 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.647 1 C5'-C4'-C3' 109.493 -4.005 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.143 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.35 -12.19 33.1 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 123.748 2.965 . . . . 0.0 111.504 -178.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 75.2 mt -76.65 -6.17 50.94 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.663 0.385 . . . . 0.0 110.935 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 74.0 -174.18 49.5 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.319 -0.713 . . . . 0.0 111.319 -179.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 39.9 t -157.01 159.36 37.93 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 122.891 0.477 . . . . 0.0 109.937 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . -178.2 173.54 46.0 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -78.16 -8.97 58.95 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 122.602 0.361 . . . . 0.0 111.879 -179.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -60.3 151.27 28.04 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.544 0.337 . . . . 0.0 110.75 -177.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 422' ' ' ARG . . . . . 0.456 ' HD2' ' C6 ' ' A' ' 2' ' ' ' G' . 87.1 mtt180 -138.14 151.82 48.13 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-O 121.07 0.462 . . . . 0.0 110.638 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -63.13 126.62 27.99 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 105.96 -6.31 40.29 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -54.56 147.19 14.71 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 117.755 0.778 . . . . 0.0 111.479 173.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 426' ' ' TRP . . . . . 0.435 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 55.0 p-90 -152.91 144.55 23.47 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.413 -175.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -93.12 149.71 21.03 Favored 'General case' 0 CA--C 1.526 0.034 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 46.9 t -62.61 129.2 92.59 Favored Pre-proline 0 CA--C 1.535 0.392 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -74.05 -13.12 23.76 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 123.593 2.862 . . . . 0.0 111.615 -178.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -72.1 125.06 91.61 Favored Pre-proline 0 CA--C 1.533 0.295 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.21 -17.56 45.09 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.768 2.312 . . . . 0.0 110.797 178.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.5 p -90.43 -0.07 57.5 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 176.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 46.6 t -119.74 -68.26 0.92 Allowed 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.031 0.533 . . . . 0.0 110.352 -176.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 52.78 16.59 0.7 Allowed 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.088 0.955 . . . . 0.0 112.659 -178.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -68.79 145.36 53.85 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.5 tpt -85.23 133.89 34.16 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 177.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -120.43 144.87 47.72 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.745 0.307 . . . . 0.0 110.615 -176.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -71.69 158.1 36.76 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 94.4 p -61.25 -28.15 68.96 Favored 'General case' 0 C--O 1.231 0.082 0 C-N-CA 123.025 0.53 . . . . 0.0 112.4 -171.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 440' ' ' TRP . . . . . 0.46 ' CZ2' " H1'" ' A' ' 1' ' ' ' U' . 45.4 p-90 -86.6 -9.26 56.46 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -176.177 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -77.92 145.54 36.09 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 174.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 442' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -110.19 -6.84 14.96 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 122.699 0.4 . . . . 0.0 110.427 174.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -141.91 160.3 40.48 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.193 0.597 . . . . 0.0 110.156 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 49.2 t -64.14 148.77 49.17 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.251 -178.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -84.52 -0.84 54.56 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.065 -177.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -136.07 -34.55 0.8 Allowed 'General case' 0 C--O 1.232 0.141 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -171.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 28.9 p -123.4 3.08 9.11 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 122.63 0.372 . . . . 0.0 111.821 -179.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm 59.09 15.74 4.28 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.893 0.877 . . . . 0.0 112.977 175.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.92 139.92 97.94 Favored Pre-proline 0 CA--C 1.53 0.196 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.76 149.12 60.0 Favored 'Trans proline' 0 N--CA 1.451 -1.028 0 C-N-CA 122.733 2.288 . . . . 0.0 111.278 -176.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 451' ' ' LYS . . . . . 0.435 ' HE2' ' NE1' ' B' ' 426' ' ' TRP . 20.1 ttmt -67.76 -55.8 13.24 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-O 118.94 -0.552 . . . . 0.0 110.325 174.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 452' ' ' PRO . . . . . 0.41 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 50.0 Cg_endo -68.21 168.55 18.96 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.723 2.282 . . . . 0.0 110.576 172.254 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -71.53 -5.39 32.81 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.163 0 CA-C-O 117.257 -1.857 . . . . 0.0 110.398 -179.88 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ' U' . . . . . 0.46 " H1'" ' CZ2' ' B' ' 440' ' ' TRP . . . . . . . . 0 O4'--C4' 1.415 -3.205 1 O4'-C1'-N19 112.354 4.154 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . 0.456 ' C6 ' ' HD2' ' B' ' 422' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.916 0 N19-C1'-C2' 109.293 -2.567 . 0.539 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C5'-C4'-C3' 110.403 -3.398 . 0.457 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.091 0 C5'-C4'-C3' 110.442 -3.372 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C5'-C4'-C3' 111.442 -2.705 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.214 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -68.65 163.19 37.96 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 124.116 3.211 . . . . 0.0 110.913 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 67.9 tp -74.09 -22.0 59.67 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 122.465 0.306 . . . . 0.0 110.614 179.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -73.99 171.69 52.12 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 47.8 t -156.22 156.59 34.4 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 122.545 0.338 . . . . 0.0 110.293 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . -71.19 170.49 47.59 Favored Glycine 0 C--N 1.338 0.664 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -140.44 163.47 32.72 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.341 0.656 . . . . 0.0 110.089 -178.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -150.96 146.07 26.0 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 422' ' ' ARG . . . . . 0.514 ' HD2' ' C6 ' ' A' ' 2' ' ' ' G' . 91.9 mtt180 -137.68 153.33 49.82 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.269 0.628 . . . . 0.0 110.029 177.359 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -63.57 124.83 22.38 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 106.71 -7.45 38.95 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 178.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -56.59 150.23 15.96 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 117.854 0.827 . . . . 0.0 111.767 174.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 426' ' ' TRP . . . . . 0.431 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 57.2 p-90 -154.29 142.29 20.22 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.779 -175.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -93.73 147.45 23.03 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 49.5 t -60.21 131.49 89.93 Favored Pre-proline 0 N--CA 1.451 -0.423 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -73.7 -13.43 24.55 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 123.613 2.875 . . . . 0.0 111.564 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -70.88 124.85 91.69 Favored Pre-proline 0 CA--C 1.533 0.32 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.04 -17.33 51.03 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 122.718 2.279 . . . . 0.0 110.716 178.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.3 p -91.2 1.05 57.38 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 176.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 44.1 t -120.06 -68.44 0.91 Allowed 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 122.871 0.468 . . . . 0.0 110.813 -176.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 51.69 21.56 1.39 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.921 0.888 . . . . 0.0 112.688 -178.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -70.2 141.35 52.55 Favored 'General case' 0 N--CA 1.455 -0.222 0 O-C-N 122.221 -0.299 . . . . 0.0 110.359 178.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 4.3 tpt -82.64 103.2 11.99 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 177.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -90.59 147.33 23.4 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.967 0.413 . . . . 0.0 110.771 -178.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -72.27 157.27 38.02 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 90.6 p -60.4 -26.96 67.07 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -173.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 52.4 p-90 -87.17 -7.47 57.93 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -175.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 90.1 mtt-85 -82.0 148.19 28.79 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 117.626 0.194 . . . . 0.0 110.516 175.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 442' ' ' ASN . . . . . 0.476 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 90.7 m-20 -113.76 -6.06 13.29 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.442 174.249 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -139.2 160.08 40.65 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.491 0.716 . . . . 0.0 109.783 178.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 49.6 t -65.2 147.53 53.3 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 121.007 0.432 . . . . 0.0 110.087 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -87.89 2.29 51.89 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.142 -176.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -135.17 -31.48 0.99 Allowed 'General case' 0 C--O 1.232 0.139 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -171.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 26.7 p -132.68 4.17 3.88 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 122.45 0.3 . . . . 0.0 111.773 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp 56.66 17.79 3.31 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.09 140.29 97.86 Favored Pre-proline 0 N--CA 1.454 -0.247 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 174.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -69.47 149.58 68.89 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 123.104 2.536 . . . . 0.0 110.833 -175.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 451' ' ' LYS . . . . . 0.476 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.8 ttmt -67.99 -55.27 13.74 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-O 119.077 -0.487 . . . . 0.0 110.093 174.154 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 452' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 51.1 Cg_endo -68.5 178.55 3.7 Favored 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 122.978 2.452 . . . . 0.0 110.949 171.237 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 18.1 p30 -71.06 -6.01 35.82 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.17 0 CA-C-O 116.929 -2.039 . . . . 0.0 110.93 -178.909 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.794 0 O4'-C1'-N19 112.004 3.804 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . 0.514 ' C6 ' ' HD2' ' B' ' 422' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 O4'-C1'-N19 111.322 3.122 . 0.0 OUTLIER '7D dist 8d' 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.623 0 O4'-C1'-N19 112.061 3.861 . 0.522 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.806 0 C5'-C4'-C3' 110.054 -3.631 . 0.383 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C5'-C4'-C3' 111.488 -2.675 . 0.318 5p . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.083 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -69.24 168.68 20.18 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.868 3.045 . . . . 0.0 110.788 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 63.2 tp -65.45 152.73 43.25 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -72.41 -168.87 11.99 Favored Glycine 0 CA--C 1.529 0.91 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 91.6 p -67.88 -12.12 60.03 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 122.66 0.384 . . . . 0.0 111.472 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 69.79 -162.02 52.62 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 177.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -153.87 154.3 33.64 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 22.7 pt20 -142.69 147.69 36.09 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 422' ' ' ARG . . . . . 0.474 ' HD2' ' C6 ' ' A' ' 2' ' ' ' G' . 92.1 mtt180 -143.26 152.21 41.44 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 123.402 0.681 . . . . 0.0 109.911 177.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -62.47 126.19 26.49 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 105.12 -5.81 42.37 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.549 -0.62 . . . . 0.0 111.549 178.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -59.81 155.93 15.18 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 117.799 0.8 . . . . 0.0 111.662 172.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 426' ' ' TRP . . . . . 0.42 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 56.0 p-90 -154.07 143.88 21.79 Favored 'General case' 0 CA--C 1.524 -0.036 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.337 -176.576 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -92.81 148.76 21.76 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 49.3 t -61.32 129.8 91.19 Favored Pre-proline 0 N--CA 1.452 -0.348 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.96 -13.21 23.96 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 123.552 2.835 . . . . 0.0 111.628 -179.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -72.5 124.26 90.57 Favored Pre-proline 0 N--CA 1.455 -0.195 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.27 -18.3 50.31 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 122.574 2.183 . . . . 0.0 110.625 177.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.3 p -89.45 1.04 56.41 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 176.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 46.5 t -121.71 -68.96 0.86 Allowed 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.007 0.523 . . . . 0.0 110.56 -176.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 52.8 17.13 0.79 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.27 1.028 . . . . 0.0 112.871 -178.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -68.11 145.94 53.93 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 177.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.3 tpt -85.68 128.47 34.79 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -115.82 144.73 43.6 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.882 0.372 . . . . 0.0 110.67 -176.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -71.5 157.8 37.38 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 29.6 t -61.65 -31.36 71.46 Favored 'General case' 0 C--O 1.231 0.1 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -173.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 50.9 p-90 -79.85 -9.06 59.62 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -177.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -80.93 151.18 28.68 Favored 'General case' 0 C--N 1.338 0.106 0 CA-C-N 118.107 0.412 . . . . 0.0 110.65 175.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 442' ' ' ASN . . . . . 0.501 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 89.2 m-20 -118.24 -7.58 10.73 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.71 0.404 . . . . 0.0 110.252 174.37 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 29.9 mp0 -136.64 157.83 45.85 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.592 0.757 . . . . 0.0 109.819 178.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 44.8 t -64.54 147.76 52.16 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 122.829 0.452 . . . . 0.0 110.534 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -81.51 -2.51 50.09 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 122.756 0.423 . . . . 0.0 111.407 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -134.48 -40.18 0.8 Allowed 'General case' 0 C--N 1.342 0.259 0 CA-C-N 118.1 0.409 . . . . 0.0 112.045 -172.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 27.2 p -114.81 0.57 13.84 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.397 0.279 . . . . 0.0 111.5 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 95.7 mttt 57.39 19.02 4.8 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.069 0.948 . . . . 0.0 112.678 177.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.34 140.41 97.76 Favored Pre-proline 0 N--CA 1.454 -0.246 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 175.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.1 149.1 64.27 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.037 2.491 . . . . 0.0 110.772 -176.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 451' ' ' LYS . . . . . 0.501 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.8 ttmt -67.51 -55.95 13.57 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-O 119.166 -0.445 . . . . 0.0 110.607 174.283 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 452' ' ' PRO . . . . . 0.401 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 55.7 Cg_endo -68.49 171.47 12.96 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 123.062 2.508 . . . . 0.0 110.161 172.286 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -71.35 -5.05 29.59 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.135 0 CA-C-O 117.323 -1.821 . . . . 0.0 110.713 179.858 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.356 0 O4'-C1'-N19 111.371 3.171 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . 0.474 ' C6 ' ' HD2' ' B' ' 422' ' ' ARG . . . . . . . . 0 O4'--C4' 1.425 -2.308 0 O4'-C1'-N19 111.295 3.095 . 0.01 8d . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.619 0 O4'-C1'-N19 111.773 3.573 . 0.499 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C5'-C4'-C3' 109.552 -3.965 . 0.419 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.095 1 O4'-C1'-N19 112.345 4.145 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 426' ' ' TRP . . . . . 0.429 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 59.9 p-90 . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.653 0.263 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -95.9 147.74 23.35 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -178.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 428' ' ' CYS . . . . . 0.48 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 49.8 t -61.85 130.09 92.19 Favored Pre-proline 0 N--CA 1.452 -0.372 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.8 -13.49 21.88 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 123.421 2.747 . . . . 0.0 111.562 -178.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -70.91 124.88 91.76 Favored Pre-proline 0 CA--C 1.534 0.33 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.97 -17.34 46.29 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 122.636 2.224 . . . . 0.0 110.623 177.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.3 p -90.2 0.74 57.04 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 176.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 433' ' ' CYS . . . . . 0.499 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 48.1 t -121.94 -69.74 0.82 Allowed 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.093 0.557 . . . . 0.0 110.606 -175.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 53.07 17.08 0.85 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.017 0.927 . . . . 0.0 112.749 -177.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -69.58 145.47 52.52 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.7 tpt -84.33 136.54 33.86 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.903 -0.776 . . . . 0.0 108.903 177.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -123.09 145.27 48.71 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.853 0.359 . . . . 0.0 110.992 -175.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -65.03 154.2 38.46 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.11 -0.496 . . . . 0.0 112.067 178.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 39.0 t -62.3 -32.02 72.7 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -173.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 56.9 p-90 -80.37 -9.44 59.75 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -176.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -78.18 147.1 34.65 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 117.894 0.315 . . . . 0.0 110.477 175.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 442' ' ' ASN . . . . . 0.446 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 90.3 m-20 -111.93 -5.47 14.34 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 122.602 0.361 . . . . 0.0 110.783 174.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -141.77 159.84 41.41 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.013 0.525 . . . . 0.0 110.202 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 444' ' ' CYS . . . . . 0.499 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 50.9 t -63.58 147.74 50.67 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.646 -177.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -81.09 -3.12 50.92 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -177.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -135.41 -37.93 0.76 Allowed 'General case' 0 C--N 1.342 0.272 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -171.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 447' ' ' CYS . . . . . 0.48 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 28.9 p -118.23 3.03 12.0 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -178.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp 58.41 15.87 3.77 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.875 0.87 . . . . 0.0 112.741 176.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.79 140.16 97.19 Favored Pre-proline 0 CA--C 1.53 0.203 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.59 149.05 67.45 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.949 2.433 . . . . 0.0 111.089 -176.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 451' ' ' LYS . . . . . 0.446 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.2 ttmt -67.37 -55.22 15.72 Favored Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.478 174.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 452' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 49.5 Cg_endo . . . . . 0 N--CA 1.452 -0.936 0 C-N-CA 122.815 2.344 . . . . 0.0 110.695 172.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 426' ' ' TRP . . . . . 0.433 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 65.1 p-90 . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.89 0.376 . . . . 0.0 110.53 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -89.51 145.57 25.2 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 428' ' ' CYS . . . . . 0.465 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 49.0 t -60.45 131.04 90.38 Favored Pre-proline 0 N--CA 1.452 -0.374 0 C-N-CA 122.707 0.403 . . . . 0.0 109.941 179.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.65 -13.92 27.24 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.661 2.907 . . . . 0.0 111.541 -178.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -71.13 125.13 91.94 Favored Pre-proline 0 CA--C 1.532 0.279 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -67.25 -18.27 50.43 Favored 'Trans proline' 0 N--CA 1.451 -0.986 0 C-N-CA 122.715 2.277 . . . . 0.0 110.948 178.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 1.9 p -90.43 1.39 56.68 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 176.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 433' ' ' CYS . . . . . 0.507 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 42.6 t -120.06 -70.05 0.81 Allowed 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 122.914 0.486 . . . . 0.0 110.38 -176.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 52.9 20.6 1.7 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.797 0.839 . . . . 0.0 112.629 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -70.51 142.32 51.86 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 122.238 -0.289 . . . . 0.0 110.34 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -83.21 100.23 10.45 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 176.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -85.49 147.75 26.3 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.639 0.256 . . . . 0.0 110.42 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -71.14 158.42 36.48 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 48.4 t -61.33 -28.84 69.5 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -171.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 48.2 p-90 -83.77 -10.55 58.01 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -176.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -78.68 148.04 33.29 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 118.122 0.419 . . . . 0.0 110.282 176.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 442' ' ' ASN . . . . . 0.513 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 88.2 m-20 -113.98 -7.7 13.11 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 122.651 0.38 . . . . 0.0 110.394 173.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 28.5 mp0 -135.43 157.82 45.92 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.629 0.772 . . . . 0.0 109.805 178.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 444' ' ' CYS . . . . . 0.507 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 49.8 t -64.69 148.71 50.49 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.309 -178.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -90.64 3.95 52.75 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.177 -176.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -136.62 -32.95 0.81 Allowed 'General case' 0 C--N 1.341 0.212 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -171.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 447' ' ' CYS . . . . . 0.465 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 27.0 p -130.55 3.81 4.61 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.591 0.357 . . . . 0.0 111.883 -179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt 58.32 17.4 4.69 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.129 0.971 . . . . 0.0 113.195 175.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -66.49 141.57 97.18 Favored Pre-proline 0 CA--C 1.53 0.204 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.22 149.67 70.6 Favored 'Trans proline' 0 N--CA 1.449 -1.138 0 C-N-CA 123.215 2.61 . . . . 0.0 111.054 -176.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 451' ' ' LYS . . . . . 0.513 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 19.4 ttmt -68.49 -55.13 12.47 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-O 119.197 -0.43 . . . . 0.0 110.485 174.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 452' ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 47.2 Cg_endo . . . . . 0 N--CA 1.449 -1.124 0 C-N-CA 122.882 2.388 . . . . 0.0 110.411 171.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 426' ' ' TRP . . . . . 0.425 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 67.8 p-90 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -84.37 143.96 29.12 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.746 -0.206 . . . . 0.0 110.527 -176.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 428' ' ' CYS . . . . . 0.477 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 46.9 t -62.19 131.74 93.66 Favored Pre-proline 0 N--CA 1.449 -0.478 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 177.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.49 -12.76 27.37 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.4 2.733 . . . . 0.0 111.704 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -72.84 124.37 90.66 Favored Pre-proline 0 CA--C 1.533 0.318 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -66.66 -17.89 53.09 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 122.764 2.309 . . . . 0.0 110.715 177.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 1.7 p -90.02 2.11 55.55 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 175.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 433' ' ' CYS . . . . . 0.493 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 47.4 t -121.96 -68.68 0.88 Allowed 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 122.929 0.491 . . . . 0.0 110.505 -176.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 52.49 19.5 1.2 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.905 0.882 . . . . 0.0 112.628 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -71.42 137.14 48.07 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 122.258 -0.276 . . . . 0.0 110.27 178.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 1.1 ttm -81.55 108.32 15.03 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 173.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -87.47 149.52 24.36 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.132 0.573 . . . . 0.0 110.702 -178.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -63.17 153.92 32.88 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 178.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 92.2 p -61.95 -26.19 68.05 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -173.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 58.3 p-90 -88.97 -8.98 53.1 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -176.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -77.79 147.06 35.46 Favored 'General case' 0 C--N 1.339 0.111 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 176.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 442' ' ' ASN . . . . . 0.458 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 89.6 m-20 -111.43 -5.77 14.55 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 122.598 0.359 . . . . 0.0 110.604 175.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -141.75 159.27 42.57 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.069 0.548 . . . . 0.0 109.724 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 444' ' ' CYS . . . . . 0.493 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 51.5 t -64.58 146.82 54.06 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.137 0.494 . . . . 0.0 110.083 -176.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -88.15 2.86 51.14 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.039 -176.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -136.05 -32.06 0.89 Allowed 'General case' 0 C--N 1.339 0.12 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -170.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 447' ' ' CYS . . . . . 0.477 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 26.0 p -131.49 4.41 4.29 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 58.06 17.56 4.54 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.129 0.972 . . . . 0.0 113.379 175.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -66.7 141.61 97.02 Favored Pre-proline 0 N--CA 1.453 -0.29 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 175.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.89 149.96 66.8 Favored 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 123.01 2.473 . . . . 0.0 111.243 -176.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 451' ' ' LYS . . . . . 0.458 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.3 ttmt -68.27 -55.42 12.61 Favored Pre-proline 0 CA--C 1.532 0.278 0 C-N-CA 122.88 0.472 . . . . 0.0 110.129 174.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 452' ' ' PRO . . . . . 0.408 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 44.8 Cg_endo . . . . . 0 N--CA 1.452 -0.945 0 C-N-CA 122.526 2.151 . . . . 0.0 110.631 170.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 426' ' ' TRP . . . . . 0.441 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 57.6 p-90 . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 120.973 0.415 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -93.75 149.11 21.5 Favored 'General case' 0 C--N 1.34 0.157 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 428' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 45.4 t -62.01 130.55 92.78 Favored Pre-proline 0 N--CA 1.448 -0.529 0 C-N-CA 122.703 0.401 . . . . 0.0 110.12 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -74.38 -13.14 22.98 Favored 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 123.669 2.912 . . . . 0.0 111.637 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -71.94 125.19 91.63 Favored Pre-proline 0 N--CA 1.454 -0.235 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -67.89 -17.73 46.75 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.891 2.394 . . . . 0.0 110.866 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.0 p -90.87 0.35 57.51 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 176.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 433' ' ' CYS . . . . . 0.481 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 42.5 t -119.67 -68.51 0.91 Allowed 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 122.982 0.513 . . . . 0.0 110.629 -176.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 52.36 17.5 0.76 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.015 0.926 . . . . 0.0 112.757 -178.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -68.23 145.33 54.38 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 177.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 9.9 tpt -86.04 127.44 34.66 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 176.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -114.46 145.22 42.16 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.151 0.501 . . . . 0.0 110.758 -176.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -70.75 158.74 35.78 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -179.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 32.9 t -62.28 -30.52 71.19 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.045 0.538 . . . . 0.0 112.154 -173.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -82.08 -9.6 59.49 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 112.837 0.681 . . . . 0.0 112.837 -177.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -80.14 148.19 31.04 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-N 117.86 0.3 . . . . 0.0 110.56 175.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 442' ' ' ASN . . . . . 0.512 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 90.6 m-20 -115.73 -6.92 12.13 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.575 174.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 31.5 mp0 -136.04 157.84 45.86 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.487 0.715 . . . . 0.0 109.547 177.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 444' ' ' CYS . . . . . 0.481 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 52.2 t -63.02 146.97 52.03 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 122.783 0.433 . . . . 0.0 110.014 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -87.06 3.65 45.23 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.117 -176.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -136.84 -33.81 0.76 Allowed 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -171.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 447' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 28.5 p -128.28 5.21 5.77 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -178.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm 57.98 16.43 3.73 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.851 0.86 . . . . 0.0 113.081 176.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.62 140.84 97.63 Favored Pre-proline 0 CA--C 1.533 0.325 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 176.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -70.12 147.99 61.78 Favored 'Trans proline' 0 N--CA 1.448 -1.152 0 C-N-CA 123.213 2.609 . . . . 0.0 110.819 -176.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 451' ' ' LYS . . . . . 0.512 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 19.4 ttmt -68.55 -56.48 9.94 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-O 119.061 -0.495 . . . . 0.0 110.477 174.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 N--CA 1.455 -0.789 0 C-N-CA 122.905 2.404 . . . . 0.0 110.971 172.676 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 426' ' ' TRP . . . . . 0.423 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 57.0 p-90 . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 120.818 0.342 . . . . 0.0 111.339 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -88.03 148.42 24.52 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 428' ' ' CYS . . . . . 0.473 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 49.1 t -62.73 130.06 93.44 Favored Pre-proline 0 N--CA 1.447 -0.577 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.65 -13.86 24.64 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 123.229 2.619 . . . . 0.0 111.552 -178.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -72.24 124.75 91.25 Favored Pre-proline 0 CA--C 1.534 0.336 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -68.44 -17.41 43.88 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 122.806 2.337 . . . . 0.0 110.59 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.5 p -91.39 0.72 57.47 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 176.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 433' ' ' CYS . . . . . 0.503 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 42.4 t -119.41 -68.95 0.88 Allowed 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.184 0.593 . . . . 0.0 110.681 -176.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 53.08 17.99 1.05 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.869 0.868 . . . . 0.0 113.031 -177.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -65.66 140.3 58.47 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 9.6 tpt -86.08 105.85 16.8 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -90.57 147.89 23.04 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.818 0.342 . . . . 0.0 111.483 -175.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -69.39 156.49 38.74 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 178.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 91.7 p -62.29 -29.13 70.21 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -173.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 55.8 p-90 -84.64 -9.0 58.67 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -175.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -80.03 149.31 30.76 Favored 'General case' 0 N--CA 1.457 -0.089 0 O-C-N 122.296 -0.253 . . . . 0.0 110.566 175.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 442' ' ' ASN . . . . . 0.49 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 88.2 m-20 -114.71 -7.43 12.7 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 123.242 0.339 . . . . 0.0 110.619 174.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 30.2 mp0 -136.91 157.6 46.37 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.594 0.758 . . . . 0.0 110.025 178.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 444' ' ' CYS . . . . . 0.503 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 50.3 t -64.35 147.16 53.16 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 122.834 0.453 . . . . 0.0 110.367 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -84.46 -1.32 55.49 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.209 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -134.26 -33.63 1.0 Allowed 'General case' 0 C--N 1.339 0.12 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -172.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 447' ' ' CYS . . . . . 0.473 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 27.9 p -124.69 2.42 8.22 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 96.4 mttt 58.06 17.6 4.57 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.906 0.883 . . . . 0.0 112.801 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.7 140.16 97.96 Favored Pre-proline 0 N--CA 1.453 -0.294 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 175.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.29 148.78 62.4 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 122.94 2.427 . . . . 0.0 110.806 -176.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 451' ' ' LYS . . . . . 0.49 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.0 ttmt -67.86 -55.84 12.89 Favored Pre-proline 0 CA--C 1.539 0.525 0 CA-C-O 119.038 -0.506 . . . . 0.0 110.469 174.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 452' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 51.8 Cg_endo . . . . . 0 N--CA 1.452 -0.924 0 C-N-CA 122.665 2.244 . . . . 0.0 110.623 172.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 426' ' ' TRP . . . . . 0.438 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 61.9 p-90 . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.642 0.258 . . . . 0.0 110.732 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -96.47 147.12 24.17 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.303 -177.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 428' ' ' CYS . . . . . 0.467 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 49.8 t -61.92 129.63 91.92 Favored Pre-proline 0 N--CA 1.447 -0.598 0 C-N-CA 122.697 0.399 . . . . 0.0 110.051 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.52 -13.66 22.52 Favored 'Trans proline' 0 N--CA 1.451 -0.982 0 C-N-CA 123.441 2.76 . . . . 0.0 111.594 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -71.06 124.6 91.28 Favored Pre-proline 0 N--CA 1.452 -0.364 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.41 -17.38 44.04 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 122.55 2.166 . . . . 0.0 110.79 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.7 p -90.53 -0.45 57.67 Favored 'General case' 0 CA--C 1.527 0.066 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 175.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 433' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 42.1 t -118.91 -68.67 0.9 Allowed 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.822 0.449 . . . . 0.0 110.466 -176.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 52.5 17.61 0.81 Allowed 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.84 0.856 . . . . 0.0 112.825 -177.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -68.04 145.57 54.34 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.5 tpt -85.8 138.4 32.1 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 176.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -124.08 145.58 49.16 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.694 0.283 . . . . 0.0 110.872 -175.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -68.89 159.16 33.12 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 42.8 t -62.62 -31.4 72.24 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -172.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 52.4 p-90 -81.75 -11.84 58.84 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -176.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -76.38 145.89 39.1 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-N 117.938 0.335 . . . . 0.0 110.484 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 442' ' ' ASN . . . . . 0.448 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 90.2 m-20 -112.32 -5.72 14.12 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 122.784 0.434 . . . . 0.0 110.554 174.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -141.47 160.06 40.93 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.89 0.476 . . . . 0.0 110.007 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 444' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 42.1 t -65.3 151.49 46.08 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 123.146 0.578 . . . . 0.0 110.298 -178.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -92.22 4.64 52.83 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.278 -177.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -136.11 -33.84 0.82 Allowed 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -173.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 447' ' ' CYS . . . . . 0.467 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 27.5 p -128.13 4.03 5.83 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -178.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 58.34 15.07 3.21 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.844 0.858 . . . . 0.0 112.892 176.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.35 140.77 97.86 Favored Pre-proline 0 N--CA 1.455 -0.224 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 177.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.64 150.09 68.47 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.077 2.518 . . . . 0.0 110.898 -176.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 451' ' ' LYS . . . . . 0.448 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.8 ttmt -66.3 -55.43 20.13 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-O 119.163 -0.446 . . . . 0.0 110.471 173.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 452' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 47.3 Cg_endo . . . . . 0 N--CA 1.451 -0.99 0 C-N-CA 122.705 2.27 . . . . 0.0 110.656 171.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 426' ' ' TRP . . . . . 0.419 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 60.2 p-90 . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.554 0.216 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -90.53 148.43 22.72 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 428' ' ' CYS . . . . . 0.462 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 49.6 t -63.18 129.8 93.72 Favored Pre-proline 0 N--CA 1.452 -0.33 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.4 -14.38 25.23 Favored 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 123.436 2.757 . . . . 0.0 111.391 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -71.07 124.86 91.71 Favored Pre-proline 0 CA--C 1.532 0.261 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.92 -18.11 46.63 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 122.698 2.265 . . . . 0.0 110.726 178.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.1 p -90.28 0.19 57.34 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 176.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 433' ' ' CYS . . . . . 0.48 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 42.4 t -118.64 -69.38 0.85 Allowed 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.025 0.53 . . . . 0.0 110.294 -176.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 53.96 16.05 1.01 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.025 0.93 . . . . 0.0 112.489 -178.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -69.15 145.76 53.03 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 9.8 tpt -85.26 132.79 34.21 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 176.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -117.33 145.3 44.11 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.067 0.46 . . . . 0.0 110.643 -177.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -68.18 155.76 38.96 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -178.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 89.2 p -62.02 -26.54 68.3 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.099 0.56 . . . . 0.0 112.431 -173.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 57.8 p-90 -87.12 -8.6 56.84 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -176.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -81.11 151.59 28.22 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 117.729 0.24 . . . . 0.0 110.51 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 442' ' ' ASN . . . . . 0.484 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 90.7 m-20 -116.16 -4.96 11.9 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.768 0.427 . . . . 0.0 110.535 174.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -141.56 159.4 42.29 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.254 0.622 . . . . 0.0 109.736 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 444' ' ' CYS . . . . . 0.48 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 45.8 t -63.91 149.01 48.11 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 122.882 0.473 . . . . 0.0 110.384 -177.252 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -89.45 3.71 51.46 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.106 -176.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -136.9 -32.49 0.8 Allowed 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -172.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 447' ' ' CYS . . . . . 0.462 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 28.0 p -129.75 3.31 4.95 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 96.1 mttt 57.64 18.12 4.5 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.903 0.881 . . . . 0.0 112.927 176.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.58 140.65 97.59 Favored Pre-proline 0 CA--C 1.531 0.212 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 175.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.9 148.05 63.35 Favored 'Trans proline' 0 N--CA 1.45 -1.036 0 C-N-CA 122.985 2.457 . . . . 0.0 111.259 -176.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 451' ' ' LYS . . . . . 0.484 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 19.1 ttmt -68.18 -55.9 11.92 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-O 119.097 -0.478 . . . . 0.0 110.64 174.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 N--CA 1.451 -1.027 0 C-N-CA 122.814 2.342 . . . . 0.0 110.685 172.515 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 426' ' ' TRP . . . . . 0.431 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 57.9 p-90 . . . . . 0 N--CA 1.455 -0.182 0 CA-C-O 120.737 0.304 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -93.07 147.13 23.11 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -178.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 428' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 49.2 t -59.62 131.13 88.38 Favored Pre-proline 0 N--CA 1.449 -0.492 0 C-N-CA 122.875 0.47 . . . . 0.0 110.351 179.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.44 -13.27 27.7 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.46 2.773 . . . . 0.0 111.531 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -72.16 125.06 91.59 Favored Pre-proline 0 CA--C 1.531 0.231 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -67.58 -16.83 47.8 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.754 2.303 . . . . 0.0 110.755 177.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.8 p -91.34 1.32 57.2 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 176.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 433' ' ' CYS . . . . . 0.51 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 42.5 t -120.13 -68.98 0.87 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.109 0.564 . . . . 0.0 110.416 -176.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 52.32 21.31 1.65 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.879 0.872 . . . . 0.0 112.666 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -71.19 138.08 49.24 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.984 -0.448 . . . . 0.0 110.06 178.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 2.6 tpt -80.39 100.59 8.54 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 176.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -86.63 147.46 25.9 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.867 0.365 . . . . 0.0 111.216 -177.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 13.6 m-30 -67.84 157.17 35.45 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 177.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 29.9 t -62.86 -33.12 74.6 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 123.099 0.56 . . . . 0.0 112.378 -173.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 58.2 p-90 -79.72 -10.85 59.85 Favored 'General case' 0 C--O 1.23 0.038 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -176.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -78.71 144.27 35.44 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-N 117.96 0.345 . . . . 0.0 110.23 176.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 442' ' ' ASN . . . . . 0.482 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 91.2 m-20 -110.73 -4.85 15.14 Favored 'General case' 0 C--O 1.23 0.064 0 C-N-CA 122.54 0.336 . . . . 0.0 110.458 174.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -140.87 159.3 42.51 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.186 0.594 . . . . 0.0 109.609 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 444' ' ' CYS . . . . . 0.51 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 42.2 t -64.32 149.13 48.78 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.454 -176.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -89.49 3.38 52.59 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.885 -177.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -135.71 -33.45 0.86 Allowed 'General case' 0 CA--C 1.528 0.111 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -172.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 447' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 25.8 p -131.07 6.34 4.57 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -177.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp 57.68 16.22 3.34 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.09 0.956 . . . . 0.0 113.057 176.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.83 140.2 97.16 Favored Pre-proline 0 CA--C 1.531 0.234 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 176.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.72 149.19 66.84 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 122.992 2.461 . . . . 0.0 110.981 -176.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 451' ' ' LYS . . . . . 0.482 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 21.1 ttmt -67.37 -56.36 12.91 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-O 119.15 -0.452 . . . . 0.0 110.195 174.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 452' ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 46.7 Cg_endo . . . . . 0 N--CA 1.451 -1.019 0 C-N-CA 122.686 2.257 . . . . 0.0 110.45 172.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 426' ' ' TRP . . . . . 0.43 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 63.4 p-90 . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.798 0.332 . . . . 0.0 110.608 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -89.46 146.08 24.87 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 428' ' ' CYS . . . . . 0.461 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 43.9 t -60.29 131.4 90.09 Favored Pre-proline 0 N--CA 1.447 -0.582 0 C-N-CA 122.839 0.455 . . . . 0.0 110.26 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -72.72 -13.21 26.97 Favored 'Trans proline' 0 N--CA 1.451 -1.027 0 C-N-CA 123.605 2.87 . . . . 0.0 111.716 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -71.87 125.17 91.66 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.52 -18.25 48.91 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 122.672 2.248 . . . . 0.0 110.714 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.1 p -90.32 0.76 57.1 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 176.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 433' ' ' CYS . . . . . 0.504 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 42.7 t -118.5 -69.09 0.87 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.403 0.681 . . . . 0.0 110.47 -176.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 51.92 21.06 1.36 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.858 0.863 . . . . 0.0 112.793 -178.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -71.71 140.72 49.71 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 122.037 -0.415 . . . . 0.0 110.023 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -82.63 99.7 9.74 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 176.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -85.09 148.01 26.36 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.917 0.389 . . . . 0.0 110.57 -178.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -68.86 156.06 39.13 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 91.1 p -61.76 -26.91 68.37 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -172.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 57.0 p-90 -86.96 -9.64 55.14 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -176.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -79.69 147.07 32.1 Favored 'General case' 0 C--N 1.338 0.073 0 CA-C-N 117.81 0.277 . . . . 0.0 110.389 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 442' ' ' ASN . . . . . 0.489 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 89.3 m-20 -111.92 -5.08 14.38 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 122.762 0.425 . . . . 0.0 110.7 173.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -140.08 158.43 44.06 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.309 0.644 . . . . 0.0 109.574 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 444' ' ' CYS . . . . . 0.504 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 48.7 t -64.67 149.55 48.84 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 122.796 0.438 . . . . 0.0 110.676 -176.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -92.49 7.49 42.9 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.196 -176.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -137.81 -33.59 0.71 Allowed 'General case' 0 C--N 1.339 0.146 0 O-C-N 122.394 -0.191 . . . . 0.0 111.491 -174.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 447' ' ' CYS . . . . . 0.461 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 25.7 p -131.29 4.38 4.36 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 122.738 0.415 . . . . 0.0 111.872 -178.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 67.6 mttm 57.46 17.51 3.9 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.941 0.897 . . . . 0.0 113.349 175.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.79 142.29 98.08 Favored Pre-proline 0 N--CA 1.453 -0.284 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 175.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.25 147.73 60.32 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.082 2.522 . . . . 0.0 111.231 -176.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 451' ' ' LYS . . . . . 0.489 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 19.8 ttmt -66.92 -57.07 12.13 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-O 118.91 -0.567 . . . . 0.0 110.495 175.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 452' ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 52.6 Cg_endo . . . . . 0 N--CA 1.452 -0.952 0 C-N-CA 122.799 2.333 . . . . 0.0 110.528 173.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 426' ' ' TRP . . . . . 0.431 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 67.0 p-90 . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 120.29 0.09 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -86.61 144.85 26.98 Favored 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 428' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 48.5 t -62.25 130.75 93.28 Favored Pre-proline 0 N--CA 1.448 -0.557 0 C-N-CA 123.123 0.569 . . . . 0.0 109.776 178.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.81 -13.11 26.74 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.816 3.011 . . . . 0.0 111.783 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -72.11 125.2 91.56 Favored Pre-proline 0 CA--C 1.535 0.376 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.51 -17.21 48.6 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.717 2.278 . . . . 0.0 110.66 177.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.6 p -91.47 0.52 57.5 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 176.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 433' ' ' CYS . . . . . 0.51 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 43.9 t -119.84 -68.27 0.92 Allowed 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.958 0.503 . . . . 0.0 110.374 -176.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 52.53 15.72 0.54 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.249 1.019 . . . . 0.0 112.966 -178.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -70.41 142.39 52.05 Favored 'General case' 0 N--CA 1.456 -0.136 0 O-C-N 122.039 -0.413 . . . . 0.0 110.202 177.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 7.1 ttm -83.97 136.73 33.95 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 173.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -119.82 146.95 45.23 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.239 0.616 . . . . 0.0 110.23 -174.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -62.11 153.83 28.85 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 94.2 p -62.32 -26.62 68.53 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 122.986 0.514 . . . . 0.0 112.066 -171.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -87.97 -10.0 51.79 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -176.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -75.46 143.98 42.34 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 117.975 0.352 . . . . 0.0 110.233 176.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 442' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -108.43 -6.11 16.34 Favored 'General case' 0 C--N 1.334 -0.103 0 C-N-CA 122.537 0.335 . . . . 0.0 110.382 175.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -141.26 159.37 42.37 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 122.973 0.509 . . . . 0.0 110.556 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 444' ' ' CYS . . . . . 0.51 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 52.4 t -64.7 145.78 55.7 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.018 0.527 . . . . 0.0 110.499 -177.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -80.44 -1.25 40.71 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.035 0.534 . . . . 0.0 111.044 -177.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -134.67 -41.14 0.78 Allowed 'General case' 0 C--N 1.34 0.185 0 CA-C-N 118.241 0.473 . . . . 0.0 111.809 -172.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 447' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 27.5 p -115.63 1.12 13.47 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.337 0.255 . . . . 0.0 111.598 -178.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm 57.83 18.69 5.1 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.875 0.87 . . . . 0.0 112.788 175.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -66.71 143.03 97.89 Favored Pre-proline 0 CA--C 1.532 0.273 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 175.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.58 148.66 66.74 Favored 'Trans proline' 0 N--CA 1.45 -1.054 0 C-N-CA 122.93 2.42 . . . . 0.0 111.16 -176.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 451' ' ' LYS . . . . . 0.431 ' HB2' ' CZ2' ' B' ' 426' ' ' TRP . 19.7 ttmt -67.0 -55.49 16.11 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-O 119.323 -0.37 . . . . 0.0 110.427 174.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 452' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 53.0 Cg_endo . . . . . 0 N--CA 1.453 -0.869 0 C-N-CA 122.596 2.198 . . . . 0.0 110.676 172.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 426' ' ' TRP . . . . . 0.436 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 59.0 p-90 . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.926 0.393 . . . . 0.0 110.708 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -87.53 146.08 25.95 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 428' ' ' CYS . . . . . 0.485 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 38.9 t -59.56 131.51 88.32 Favored Pre-proline 0 N--CA 1.45 -0.457 0 C-N-CA 122.674 0.39 . . . . 0.0 110.271 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.1 -14.62 28.97 Favored 'Trans proline' 0 N--CA 1.45 -1.041 0 C-N-CA 123.469 2.779 . . . . 0.0 111.376 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -71.0 125.04 91.98 Favored Pre-proline 0 N--CA 1.452 -0.333 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -67.09 -17.19 50.67 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 122.745 2.297 . . . . 0.0 110.947 178.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.3 p -90.99 -2.12 57.74 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 176.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 433' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 42.6 t -115.87 -67.4 1.0 Allowed 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.607 0.363 . . . . 0.0 110.7 -175.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 51.75 20.54 1.16 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.033 0.933 . . . . 0.0 113.028 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -72.0 143.3 49.23 Favored 'General case' 0 N--CA 1.455 -0.188 0 O-C-N 121.973 -0.454 . . . . 0.0 110.502 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -82.94 100.2 10.27 Favored 'General case' 0 C--O 1.23 0.078 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 175.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -85.08 147.2 26.77 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 122.44 0.296 . . . . 0.0 110.382 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -70.7 158.91 35.43 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 42.1 t -62.49 -28.12 69.61 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 122.967 0.507 . . . . 0.0 112.299 -173.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 -85.74 -8.72 57.99 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -177.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 89.9 mtt-85 -80.45 150.72 29.62 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 117.908 0.322 . . . . 0.0 110.605 175.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 442' ' ' ASN . . . . . 0.499 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 88.6 m-20 -117.5 -7.29 11.13 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 122.715 0.406 . . . . 0.0 110.308 173.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 29.6 mp0 -135.71 158.06 45.32 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.577 0.751 . . . . 0.0 109.679 177.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 444' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 51.7 t -65.73 147.5 53.28 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 120.986 0.422 . . . . 0.0 110.356 -177.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -84.85 -2.48 57.83 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.032 -177.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -134.06 -30.78 1.18 Allowed 'General case' 0 C--O 1.233 0.195 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -171.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 447' ' ' CYS . . . . . 0.485 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 26.8 p -129.06 3.19 5.26 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.477 0.311 . . . . 0.0 111.754 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 61.7 mttp 58.12 17.6 4.64 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 124.129 0.971 . . . . 0.0 113.057 175.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -66.5 141.82 97.31 Favored Pre-proline 0 N--CA 1.452 -0.342 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 175.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.76 149.85 67.47 Favored 'Trans proline' 0 N--CA 1.45 -1.042 0 C-N-CA 123.126 2.55 . . . . 0.0 110.899 -177.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 451' ' ' LYS . . . . . 0.499 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 19.5 ttmt -68.36 -56.76 9.84 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-O 119.202 -0.428 . . . . 0.0 110.348 174.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo . . . . . 0 N--CA 1.453 -0.853 0 C-N-CA 122.75 2.3 . . . . 0.0 110.607 173.177 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 426' ' ' TRP . . . . . 0.426 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 55.9 p-90 . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.668 0.271 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -93.89 149.23 21.41 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 428' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 47.8 t -62.2 130.13 92.73 Favored Pre-proline 0 N--CA 1.452 -0.343 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -73.92 -13.89 23.96 Favored 'Trans proline' 0 N--CA 1.451 -0.982 0 C-N-CA 123.656 2.904 . . . . 0.0 111.737 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 430' ' ' ASN . . . . . 0.41 ' HB3' ' HB3' ' B' ' 433' ' ' CYS . 7.6 t-20 -71.27 124.98 91.86 Favored Pre-proline 0 CA--C 1.533 0.322 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -179.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -67.76 -17.08 47.3 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 122.619 2.213 . . . . 0.0 110.593 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 1.5 p -92.54 6.43 47.24 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 176.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 433' ' ' CYS . . . . . 0.479 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 45.6 t -126.04 -68.87 0.8 Allowed 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.894 0.477 . . . . 0.0 110.487 -177.081 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 53.61 15.78 0.83 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.022 0.929 . . . . 0.0 112.675 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -67.48 145.7 54.71 Favored 'General case' 0 N--CA 1.457 -0.096 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.3 tpt -85.28 132.43 34.26 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 176.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -118.91 145.62 45.59 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.899 0.38 . . . . 0.0 110.96 -176.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -71.77 158.96 35.16 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 38.5 t -62.36 -31.25 71.87 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.969 0.507 . . . . 0.0 112.109 -173.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 54.2 p-90 -82.12 -10.02 59.33 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -177.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -79.5 148.67 31.74 Favored 'General case' 0 C--N 1.34 0.166 0 CA-C-N 117.828 0.285 . . . . 0.0 110.443 176.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 442' ' ' ASN . . . . . 0.414 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 91.1 m-20 -114.25 -5.17 12.99 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.002 0.521 . . . . 0.0 110.291 173.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -140.51 160.09 40.76 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.262 0.625 . . . . 0.0 110.105 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 444' ' ' CYS . . . . . 0.479 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 50.8 t -64.42 148.35 50.68 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.268 -179.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -88.03 4.28 45.73 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.736 0.415 . . . . 0.0 109.961 -176.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -136.85 -32.42 0.81 Allowed 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -172.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 447' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 26.9 p -130.22 2.7 4.71 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.616 0.367 . . . . 0.0 111.737 -178.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp 57.03 18.72 4.17 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 177.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.67 139.48 97.77 Favored Pre-proline 0 N--CA 1.454 -0.227 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 174.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.35 148.17 67.14 Favored 'Trans proline' 0 N--CA 1.449 -1.12 0 C-N-CA 123.039 2.493 . . . . 0.0 111.051 -176.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 451' ' ' LYS . . . . . 0.426 ' HB2' ' CZ2' ' B' ' 426' ' ' TRP . 20.9 ttmt -67.08 -55.54 15.73 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-O 119.166 -0.445 . . . . 0.0 110.543 174.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 452' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 52.0 Cg_endo . . . . . 0 N--CA 1.455 -0.793 0 C-N-CA 122.926 2.418 . . . . 0.0 110.805 171.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 426' ' ' TRP . . . . . 0.43 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 53.2 p-90 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.881 0.372 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -93.89 149.81 20.91 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 428' ' ' CYS . . . . . 0.455 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 49.7 t -61.55 130.35 91.96 Favored Pre-proline 0 N--CA 1.452 -0.36 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -73.89 -13.78 24.07 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 123.496 2.798 . . . . 0.0 111.631 -179.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -72.36 125.74 91.26 Favored Pre-proline 0 CA--C 1.532 0.271 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -68.34 -18.45 44.3 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 122.821 2.347 . . . . 0.0 110.548 178.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 1.9 p -89.45 0.27 56.98 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 175.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 433' ' ' CYS . . . . . 0.489 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 42.3 t -119.8 -71.61 0.73 Allowed 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.09 0.556 . . . . 0.0 110.618 -176.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 54.38 17.97 1.74 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.847 0.859 . . . . 0.0 112.744 -177.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -68.61 149.59 48.98 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 176.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.4 tpt -90.73 127.44 36.32 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -115.4 145.75 42.25 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.129 0.49 . . . . 0.0 110.777 -175.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -71.05 159.27 35.04 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 178.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 40.7 t -63.29 -30.4 71.54 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -174.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 57.1 p-90 -80.07 -11.65 59.75 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -177.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -78.37 147.1 34.26 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 117.94 0.336 . . . . 0.0 110.362 174.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 442' ' ' ASN . . . . . 0.415 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 91.0 m-20 -113.22 -5.95 13.63 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 122.668 0.387 . . . . 0.0 110.61 174.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -141.66 159.31 42.48 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.234 0.614 . . . . 0.0 110.164 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 444' ' ' CYS . . . . . 0.489 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 47.6 t -64.17 152.25 41.17 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 123.26 0.624 . . . . 0.0 110.802 -177.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -92.21 3.54 55.13 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 122.885 0.474 . . . . 0.0 109.914 -176.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -135.62 -32.81 0.89 Allowed 'General case' 0 C--O 1.233 0.202 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -172.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 447' ' ' CYS . . . . . 0.455 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 26.4 p -130.59 3.43 4.58 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.601 0.36 . . . . 0.0 111.741 -177.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 96.6 mttt 56.49 18.35 3.48 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.9 0.88 . . . . 0.0 113.186 176.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.91 139.94 97.94 Favored Pre-proline 0 N--CA 1.454 -0.238 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.96 147.42 61.55 Favored 'Trans proline' 0 N--CA 1.449 -1.119 0 C-N-CA 122.95 2.434 . . . . 0.0 111.091 -176.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 451' ' ' LYS . . . . . 0.43 ' HE2' ' NE1' ' B' ' 426' ' ' TRP . 20.7 ttmt -65.89 -56.44 17.54 Favored Pre-proline 0 CA--C 1.535 0.382 0 CA-C-O 119.258 -0.401 . . . . 0.0 110.352 174.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 452' ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 56.1 Cg_endo . . . . . 0 N--CA 1.449 -1.137 0 C-N-CA 122.85 2.366 . . . . 0.0 110.775 172.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 426' ' ' TRP . . . . . 0.436 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 61.6 p-90 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -89.4 146.6 24.56 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 428' ' ' CYS . . . . . 0.467 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 48.6 t -61.04 131.03 91.77 Favored Pre-proline 0 N--CA 1.45 -0.472 0 C-N-CA 122.949 0.5 . . . . 0.0 109.922 178.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -73.07 -13.52 26.09 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.479 2.786 . . . . 0.0 111.226 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -71.02 124.6 91.29 Favored Pre-proline 0 CA--C 1.531 0.227 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -67.66 -17.31 47.85 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 122.56 2.174 . . . . 0.0 110.637 178.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.4 p -90.24 1.0 56.95 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 176.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 433' ' ' CYS . . . . . 0.519 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 46.9 t -120.41 -68.65 0.89 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 122.926 0.491 . . . . 0.0 110.599 -176.032 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 52.47 21.46 1.77 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.854 0.862 . . . . 0.0 112.61 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -71.55 142.16 50.08 Favored 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 122.131 -0.355 . . . . 0.0 110.632 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -83.58 100.44 10.81 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.308 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -85.63 147.74 26.24 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 122.617 0.367 . . . . 0.0 110.61 -179.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -69.81 159.54 33.41 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 46.5 t -62.1 -31.97 72.48 Favored 'General case' 0 CA--C 1.527 0.089 0 C-N-CA 123.173 0.589 . . . . 0.0 112.107 -173.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 53.1 p-90 -81.71 -11.41 59.06 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -176.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -77.71 146.25 36.1 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 117.946 0.339 . . . . 0.0 110.749 176.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 442' ' ' ASN . . . . . 0.435 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 88.8 m-20 -112.12 -6.3 14.16 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 122.828 0.451 . . . . 0.0 110.319 174.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -139.98 159.26 42.58 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.212 0.605 . . . . 0.0 109.907 178.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 444' ' ' CYS . . . . . 0.519 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 50.2 t -64.53 145.33 56.3 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.019 0.438 . . . . 0.0 110.575 -178.087 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -80.95 -1.81 45.18 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.928 -177.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -133.99 -31.32 1.15 Allowed 'General case' 0 C--O 1.233 0.2 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -171.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 447' ' ' CYS . . . . . 0.467 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 24.9 p -129.88 4.27 4.94 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp 56.32 18.58 3.46 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 176.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.5 139.55 97.76 Favored Pre-proline 0 N--CA 1.454 -0.264 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 174.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.57 146.69 62.18 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.786 2.324 . . . . 0.0 111.137 -175.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 451' ' ' LYS . . . . . 0.436 ' HB2' ' CZ2' ' B' ' 426' ' ' TRP . 20.0 ttmt -66.63 -55.45 18.26 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.282 174.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 452' ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 49.2 Cg_endo . . . . . 0 N--CA 1.45 -1.04 0 C-N-CA 122.823 2.349 . . . . 0.0 110.689 171.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 426' ' ' TRP . . . . . 0.429 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 58.5 p-90 . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 120.822 0.344 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -95.63 148.5 22.47 Favored 'General case' 0 C--N 1.338 0.091 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.082 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 428' ' ' CYS . . . . . 0.455 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 49.4 t -61.75 129.79 91.8 Favored Pre-proline 0 N--CA 1.449 -0.501 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.19 -13.46 23.37 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 123.622 2.881 . . . . 0.0 111.482 -178.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -71.95 125.02 91.67 Favored Pre-proline 0 N--CA 1.454 -0.265 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -179.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.69 -19.35 41.72 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 122.941 2.427 . . . . 0.0 110.54 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.3 p -89.29 0.44 56.8 Favored 'General case' 0 C--N 1.339 0.116 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 176.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 433' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 42.3 t -118.24 -68.77 0.89 Allowed 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 122.952 0.501 . . . . 0.0 110.543 -177.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 53.06 17.12 0.86 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.208 1.003 . . . . 0.0 112.799 -177.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -68.34 144.42 54.8 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 177.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.9 tpt -84.55 135.3 34.27 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 175.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -121.05 144.92 48.29 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 121.052 0.453 . . . . 0.0 110.88 -176.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -67.88 155.86 38.45 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 90.1 p -62.24 -27.63 69.13 Favored 'General case' 0 C--O 1.231 0.093 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -172.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -86.33 -9.02 57.22 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -176.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -78.64 147.44 33.6 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 175.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 442' ' ' ASN . . . . . 0.461 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 90.2 m-20 -112.8 -4.98 13.92 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 122.751 0.421 . . . . 0.0 110.608 174.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -142.34 159.6 41.92 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.043 0.537 . . . . 0.0 110.089 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 444' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 43.3 t -64.44 148.53 50.33 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 122.878 0.471 . . . . 0.0 110.238 -177.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -89.51 5.04 47.23 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.196 -0.457 . . . . 0.0 109.935 -176.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -136.85 -33.36 0.78 Allowed 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -172.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 447' ' ' CYS . . . . . 0.455 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 27.8 p -129.39 3.93 5.14 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -178.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp 58.6 15.71 3.82 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.911 0.884 . . . . 0.0 112.693 176.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.99 140.95 98.26 Favored Pre-proline 0 CA--C 1.531 0.212 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 176.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.72 149.23 66.9 Favored 'Trans proline' 0 N--CA 1.449 -1.092 0 C-N-CA 123.106 2.537 . . . . 0.0 110.971 -176.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 451' ' ' LYS . . . . . 0.461 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.4 ttmt -67.33 -55.46 15.25 Favored Pre-proline 0 CA--C 1.535 0.393 0 C-N-CA 122.639 0.376 . . . . 0.0 110.295 173.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 452' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 55.5 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 C-N-CA 122.978 2.452 . . . . 0.0 110.539 171.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 426' ' ' TRP . . . . . 0.441 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 60.2 p-90 . . . . . 0 N--CA 1.455 -0.214 0 CA-C-O 120.613 0.244 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -88.24 148.89 24.13 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 428' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 36.4 t -63.45 130.8 94.54 Favored Pre-proline 0 N--CA 1.449 -0.502 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 178.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.9 -12.87 24.08 Favored 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 123.322 2.681 . . . . 0.0 111.805 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -71.6 125.5 91.73 Favored Pre-proline 0 CA--C 1.532 0.285 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -69.0 -19.23 40.02 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 122.729 2.286 . . . . 0.0 111.212 -178.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.6 p -89.92 -7.15 54.82 Favored 'General case' 0 C--N 1.338 0.104 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 176.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 433' ' ' CYS . . . . . 0.477 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 41.9 t -106.8 -69.98 0.81 Allowed 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.03 0.532 . . . . 0.0 110.304 -176.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 53.01 17.55 0.93 Allowed 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.879 0.871 . . . . 0.0 112.768 -177.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -67.08 144.51 56.07 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 8.8 tpt -87.55 108.15 18.92 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -92.76 146.9 23.3 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.084 0.469 . . . . 0.0 110.996 -176.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -70.28 158.97 34.92 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 31.4 t -61.78 -32.98 73.29 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 123.046 0.538 . . . . 0.0 112.372 -173.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 53.3 p-90 -81.88 -9.39 59.61 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -175.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -80.08 151.77 29.7 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 117.915 0.325 . . . . 0.0 110.84 177.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 442' ' ' ASN . . . . . 0.485 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 91.3 m-20 -116.08 -6.8 11.93 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 122.869 0.468 . . . . 0.0 110.584 174.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -140.91 160.26 40.45 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.161 0.585 . . . . 0.0 109.746 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 444' ' ' CYS . . . . . 0.477 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 44.2 t -64.69 150.05 47.93 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 122.874 0.47 . . . . 0.0 110.756 -177.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -92.35 4.23 53.8 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.344 -177.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -135.6 -32.63 0.9 Allowed 'General case' 0 C--N 1.341 0.2 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -172.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 447' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 26.2 p -131.51 3.47 4.22 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.542 0.337 . . . . 0.0 111.674 -178.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm 57.99 17.69 4.58 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 124.075 0.95 . . . . 0.0 113.152 176.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.68 140.49 97.43 Favored Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 176.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.06 149.45 65.0 Favored 'Trans proline' 0 N--CA 1.45 -1.054 0 C-N-CA 123.014 2.476 . . . . 0.0 111.004 -176.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 451' ' ' LYS . . . . . 0.485 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.3 ttmt -68.92 -56.1 9.68 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-O 119.288 -0.387 . . . . 0.0 110.36 174.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 452' ' ' PRO . . . . . 0.408 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 53.5 Cg_endo . . . . . 0 N--CA 1.452 -0.94 0 C-N-CA 122.92 2.413 . . . . 0.0 110.584 171.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 426' ' ' TRP . . . . . 0.429 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 63.7 p-90 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.754 0.311 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -87.77 145.51 26.08 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -178.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 428' ' ' CYS . . . . . 0.486 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 49.8 t -60.19 131.99 90.03 Favored Pre-proline 0 N--CA 1.449 -0.519 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 178.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.26 -14.06 25.6 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.429 2.753 . . . . 0.0 111.625 -178.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -70.79 124.92 91.8 Favored Pre-proline 0 CA--C 1.532 0.253 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.01 -16.35 49.25 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 122.623 2.215 . . . . 0.0 110.401 176.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 1.6 p -93.39 8.25 41.26 Favored 'General case' 0 C--O 1.231 0.08 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 176.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 433' ' ' CYS . . . . . 0.527 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 46.3 t -127.99 -68.77 0.76 Allowed 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 122.959 0.503 . . . . 0.0 110.49 -177.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 52.39 20.03 1.31 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.181 0.992 . . . . 0.0 112.723 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -70.41 139.1 51.76 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 122.147 -0.346 . . . . 0.0 110.334 178.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.66 100.05 8.48 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 176.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -83.88 148.41 26.98 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.882 0.372 . . . . 0.0 110.928 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -68.76 157.33 36.6 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 43.1 t -62.34 -32.72 73.53 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -173.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -80.08 -11.43 59.76 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -176.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -78.43 146.94 34.22 Favored 'General case' 0 C--N 1.341 0.208 0 O-C-N 122.006 -0.434 . . . . 0.0 110.64 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 442' ' ' ASN . . . . . 0.461 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 89.8 m-20 -111.87 -5.57 14.36 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 122.715 0.406 . . . . 0.0 110.512 174.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -141.81 159.89 41.3 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.245 0.618 . . . . 0.0 109.84 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 444' ' ' CYS . . . . . 0.527 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 51.5 t -65.25 147.65 53.07 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.58 -176.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -83.8 -1.64 54.7 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.975 -177.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -134.52 -35.93 0.88 Allowed 'General case' 0 CA--C 1.527 0.095 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -171.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 447' ' ' CYS . . . . . 0.486 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 26.4 p -122.94 2.72 9.39 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.535 0.334 . . . . 0.0 111.769 -179.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm 57.66 17.5 4.1 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.903 0.881 . . . . 0.0 113.21 175.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -66.27 141.83 97.5 Favored Pre-proline 0 CA--C 1.533 0.314 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 150.43 67.9 Favored 'Trans proline' 0 N--CA 1.449 -1.09 0 C-N-CA 123.116 2.544 . . . . 0.0 111.043 -175.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 451' ' ' LYS . . . . . 0.461 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 21.4 ttmt -67.78 -56.34 11.98 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-O 119.135 -0.46 . . . . 0.0 110.208 174.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo . . . . . 0 N--CA 1.455 -0.769 0 C-N-CA 122.719 2.279 . . . . 0.0 110.678 171.76 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 426' ' ' TRP . . . . . 0.435 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 55.0 p-90 . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.864 0.364 . . . . 0.0 111.413 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -93.12 149.71 21.03 Favored 'General case' 0 CA--C 1.526 0.034 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 428' ' ' CYS . . . . . 0.465 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 46.9 t -62.61 129.2 92.59 Favored Pre-proline 0 CA--C 1.535 0.392 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 179.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -74.05 -13.12 23.76 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 123.593 2.862 . . . . 0.0 111.615 -178.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -72.1 125.06 91.61 Favored Pre-proline 0 CA--C 1.533 0.295 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.21 -17.56 45.09 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.768 2.312 . . . . 0.0 110.797 178.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.5 p -90.43 -0.07 57.5 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 176.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 433' ' ' CYS . . . . . 0.499 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 46.6 t -119.74 -68.26 0.92 Allowed 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.031 0.533 . . . . 0.0 110.352 -176.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 52.78 16.59 0.7 Allowed 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.088 0.955 . . . . 0.0 112.659 -178.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -68.79 145.36 53.85 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.5 tpt -85.23 133.89 34.16 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 177.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -120.43 144.87 47.72 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.745 0.307 . . . . 0.0 110.615 -176.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -71.69 158.1 36.76 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 94.4 p -61.25 -28.15 68.96 Favored 'General case' 0 C--O 1.231 0.082 0 C-N-CA 123.025 0.53 . . . . 0.0 112.4 -171.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 45.4 p-90 -86.6 -9.26 56.46 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -176.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -77.92 145.54 36.09 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 174.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 442' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -110.19 -6.84 14.96 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 122.699 0.4 . . . . 0.0 110.427 174.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -141.91 160.3 40.48 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.193 0.597 . . . . 0.0 110.156 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 444' ' ' CYS . . . . . 0.499 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 49.2 t -64.14 148.77 49.17 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.251 -178.394 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -84.52 -0.84 54.56 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.065 -177.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -136.07 -34.55 0.8 Allowed 'General case' 0 C--O 1.232 0.141 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -171.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 447' ' ' CYS . . . . . 0.465 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 28.9 p -123.4 3.08 9.11 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 122.63 0.372 . . . . 0.0 111.821 -179.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm 59.09 15.74 4.28 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.893 0.877 . . . . 0.0 112.977 175.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.92 139.92 97.94 Favored Pre-proline 0 CA--C 1.53 0.196 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.76 149.12 60.0 Favored 'Trans proline' 0 N--CA 1.451 -1.028 0 C-N-CA 122.733 2.288 . . . . 0.0 111.278 -176.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 451' ' ' LYS . . . . . 0.435 ' HE2' ' NE1' ' B' ' 426' ' ' TRP . 20.1 ttmt -67.76 -55.8 13.24 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-O 118.94 -0.552 . . . . 0.0 110.325 174.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 452' ' ' PRO . . . . . 0.41 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 50.0 Cg_endo . . . . . 0 N--CA 1.455 -0.738 0 C-N-CA 122.723 2.282 . . . . 0.0 110.576 172.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 426' ' ' TRP . . . . . 0.431 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 57.2 p-90 . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 120.663 0.268 . . . . 0.0 110.779 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -93.73 147.45 23.03 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 428' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 49.5 t -60.21 131.49 89.93 Favored Pre-proline 0 N--CA 1.451 -0.423 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -73.7 -13.43 24.55 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 123.613 2.875 . . . . 0.0 111.564 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -70.88 124.85 91.69 Favored Pre-proline 0 CA--C 1.533 0.32 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.04 -17.33 51.03 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 122.718 2.279 . . . . 0.0 110.716 178.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.3 p -91.2 1.05 57.38 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 176.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 433' ' ' CYS . . . . . 0.51 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 44.1 t -120.06 -68.44 0.91 Allowed 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 122.871 0.468 . . . . 0.0 110.813 -176.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 51.69 21.56 1.39 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.921 0.888 . . . . 0.0 112.688 -178.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -70.2 141.35 52.55 Favored 'General case' 0 N--CA 1.455 -0.222 0 O-C-N 122.221 -0.299 . . . . 0.0 110.359 178.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 4.3 tpt -82.64 103.2 11.99 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 177.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -90.59 147.33 23.4 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.967 0.413 . . . . 0.0 110.771 -178.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -72.27 157.27 38.02 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 90.6 p -60.4 -26.96 67.07 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -173.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 52.4 p-90 -87.17 -7.47 57.93 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -175.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 90.1 mtt-85 -82.0 148.19 28.79 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 117.626 0.194 . . . . 0.0 110.516 175.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 442' ' ' ASN . . . . . 0.476 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 90.7 m-20 -113.76 -6.06 13.29 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.442 174.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -139.2 160.08 40.65 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.491 0.716 . . . . 0.0 109.783 178.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 444' ' ' CYS . . . . . 0.51 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 49.6 t -65.2 147.53 53.3 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 121.007 0.432 . . . . 0.0 110.087 -178.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -87.89 2.29 51.89 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.142 -176.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -135.17 -31.48 0.99 Allowed 'General case' 0 C--O 1.232 0.139 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -171.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 447' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 26.7 p -132.68 4.17 3.88 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 122.45 0.3 . . . . 0.0 111.773 -179.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp 56.66 17.79 3.31 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.09 140.29 97.86 Favored Pre-proline 0 N--CA 1.454 -0.247 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 174.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -69.47 149.58 68.89 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 123.104 2.536 . . . . 0.0 110.833 -175.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 451' ' ' LYS . . . . . 0.476 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.8 ttmt -67.99 -55.27 13.74 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-O 119.077 -0.487 . . . . 0.0 110.093 174.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 452' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 51.1 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 C-N-CA 122.978 2.452 . . . . 0.0 110.949 171.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 426' ' ' TRP . . . . . 0.42 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 56.0 p-90 . . . . . 0 CA--C 1.524 -0.036 0 CA-C-O 120.862 0.363 . . . . 0.0 111.337 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -92.81 148.76 21.76 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 428' ' ' CYS . . . . . 0.484 ' SG ' ' SG ' ' B' ' 447' ' ' CYS . 49.3 t -61.32 129.8 91.19 Favored Pre-proline 0 N--CA 1.452 -0.348 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.96 -13.21 23.96 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 123.552 2.835 . . . . 0.0 111.628 -179.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -72.5 124.26 90.57 Favored Pre-proline 0 N--CA 1.455 -0.195 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.27 -18.3 50.31 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 122.574 2.183 . . . . 0.0 110.625 177.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.3 p -89.45 1.04 56.41 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 176.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 433' ' ' CYS . . . . . 0.492 ' SG ' ' SG ' ' B' ' 444' ' ' CYS . 46.5 t -121.71 -68.96 0.86 Allowed 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.007 0.523 . . . . 0.0 110.56 -176.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 52.8 17.13 0.79 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.27 1.028 . . . . 0.0 112.871 -178.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -68.11 145.94 53.93 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 177.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.3 tpt -85.68 128.47 34.79 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -115.82 144.73 43.6 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.882 0.372 . . . . 0.0 110.67 -176.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -71.5 157.8 37.38 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 29.6 t -61.65 -31.36 71.46 Favored 'General case' 0 C--O 1.231 0.1 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -173.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 50.9 p-90 -79.85 -9.06 59.62 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -177.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -80.93 151.18 28.68 Favored 'General case' 0 C--N 1.338 0.106 0 CA-C-N 118.107 0.412 . . . . 0.0 110.65 175.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 442' ' ' ASN . . . . . 0.501 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 89.2 m-20 -118.24 -7.58 10.73 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.71 0.404 . . . . 0.0 110.252 174.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 29.9 mp0 -136.64 157.83 45.85 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.592 0.757 . . . . 0.0 109.819 178.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 444' ' ' CYS . . . . . 0.492 ' SG ' ' SG ' ' B' ' 433' ' ' CYS . 44.8 t -64.54 147.76 52.16 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 122.829 0.452 . . . . 0.0 110.534 -179.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -81.51 -2.51 50.09 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 122.756 0.423 . . . . 0.0 111.407 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -134.48 -40.18 0.8 Allowed 'General case' 0 C--N 1.342 0.259 0 CA-C-N 118.1 0.409 . . . . 0.0 112.045 -172.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 447' ' ' CYS . . . . . 0.484 ' SG ' ' SG ' ' B' ' 428' ' ' CYS . 27.2 p -114.81 0.57 13.84 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.397 0.279 . . . . 0.0 111.5 -178.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 95.7 mttt 57.39 19.02 4.8 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.069 0.948 . . . . 0.0 112.678 177.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.34 140.41 97.76 Favored Pre-proline 0 N--CA 1.454 -0.246 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 175.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.1 149.1 64.27 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.037 2.491 . . . . 0.0 110.772 -176.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 451' ' ' LYS . . . . . 0.501 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.8 ttmt -67.51 -55.95 13.57 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-O 119.166 -0.445 . . . . 0.0 110.607 174.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 452' ' ' PRO . . . . . 0.401 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 55.7 Cg_endo . . . . . 0 N--CA 1.451 -0.995 0 C-N-CA 123.062 2.508 . . . . 0.0 110.161 172.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.191 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.22 -13.43 28.31 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 124.11 3.207 . . . . 0.0 111.41 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 87.3 mt -72.49 162.45 29.45 Favored 'General case' 0 C--N 1.338 0.105 0 C-N-CA 122.624 0.37 . . . . 0.0 110.745 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -173.28 179.39 44.72 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 70.2 m -74.0 -3.27 28.23 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 122.881 0.472 . . . . 0.0 111.748 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . -71.38 151.58 48.54 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -146.85 170.39 17.15 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.211 0.605 . . . . 0.0 110.254 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -147.47 135.42 21.26 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 175.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 422' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -142.07 152.84 43.7 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.797 0.332 . . . . 0.0 110.476 -177.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -63.78 129.15 38.95 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 105.26 -10.1 46.63 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -60.85 158.63 12.67 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 117.57 0.685 . . . . 0.0 111.764 173.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 426' ' ' TRP . . . . . 0.429 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 59.9 p-90 -151.16 146.93 26.45 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.909 -176.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -95.9 147.74 23.35 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -178.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 49.8 t -61.85 130.09 92.19 Favored Pre-proline 0 N--CA 1.452 -0.372 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.8 -13.49 21.88 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 123.421 2.747 . . . . 0.0 111.562 -178.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -70.91 124.88 91.76 Favored Pre-proline 0 CA--C 1.534 0.33 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.97 -17.34 46.29 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 122.636 2.224 . . . . 0.0 110.623 177.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.3 p -90.2 0.74 57.04 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 176.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 48.1 t -121.94 -69.74 0.82 Allowed 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.093 0.557 . . . . 0.0 110.606 -175.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 53.07 17.08 0.85 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.017 0.927 . . . . 0.0 112.749 -177.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -69.58 145.47 52.52 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.7 tpt -84.33 136.54 33.86 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.903 -0.776 . . . . 0.0 108.903 177.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -123.09 145.27 48.71 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.853 0.359 . . . . 0.0 110.992 -175.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -65.03 154.2 38.46 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.11 -0.496 . . . . 0.0 112.067 178.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 39.0 t -62.3 -32.02 72.7 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -173.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 56.9 p-90 -80.37 -9.44 59.75 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -176.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -78.18 147.1 34.65 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 117.894 0.315 . . . . 0.0 110.477 175.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 442' ' ' ASN . . . . . 0.446 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 90.3 m-20 -111.93 -5.47 14.34 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 122.602 0.361 . . . . 0.0 110.783 174.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -141.77 159.84 41.41 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.013 0.525 . . . . 0.0 110.202 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 50.9 t -63.58 147.74 50.67 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.646 -177.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -81.09 -3.12 50.92 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -177.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -135.41 -37.93 0.76 Allowed 'General case' 0 C--N 1.342 0.272 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -171.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 28.9 p -118.23 3.03 12.0 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp 58.41 15.87 3.77 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.875 0.87 . . . . 0.0 112.741 176.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.79 140.16 97.19 Favored Pre-proline 0 CA--C 1.53 0.203 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.59 149.05 67.45 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.949 2.433 . . . . 0.0 111.089 -176.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 451' ' ' LYS . . . . . 0.446 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.2 ttmt -67.37 -55.22 15.72 Favored Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.478 174.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 452' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 49.5 Cg_endo -67.33 168.66 17.24 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 122.815 2.344 . . . . 0.0 110.695 172.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -71.43 -4.69 27.84 Favored 'General case' 0 CA--C 1.528 0.129 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.194 0 CA-C-O 117.272 -1.849 . . . . 0.0 110.671 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 O4'-C1'-N19 111.955 3.755 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.477 0 C5'-C4'-C3' 111.396 -2.736 . 0.01 8d . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.99 1 C5'-C4'-C3' 109.495 -4.003 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1t' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.771 0 C5'-C4'-C3' 110.4 -3.4 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.472 0 C5'-C4'-C3' 109.666 -3.89 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.012 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -68.32 159.97 51.01 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 123.863 3.042 . . . . 0.0 110.901 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 66.3 tp -67.39 133.29 49.31 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -82.77 173.56 52.58 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.75 -0.54 . . . . 0.0 111.75 -177.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 75.6 m 57.76 11.09 1.23 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.362 1.065 . . . . 0.0 113.27 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . -82.68 150.5 28.2 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -76.01 161.54 28.81 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -151.63 137.72 18.26 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.577 0.227 . . . . 0.0 111.273 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 422' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -146.85 158.77 44.0 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 124.243 1.017 . . . . 0.0 109.747 178.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -61.37 126.96 29.24 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 108.59 -11.39 35.72 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -63.22 167.45 5.13 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 117.178 0.489 . . . . 0.0 112.255 174.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 426' ' ' TRP . . . . . 0.433 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 65.1 p-90 -150.87 139.21 20.34 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 120.89 0.376 . . . . 0.0 110.53 179.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -89.51 145.57 25.2 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 49.0 t -60.45 131.04 90.38 Favored Pre-proline 0 N--CA 1.452 -0.374 0 C-N-CA 122.707 0.403 . . . . 0.0 109.941 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.65 -13.92 27.24 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.661 2.907 . . . . 0.0 111.541 -178.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -71.13 125.13 91.94 Favored Pre-proline 0 CA--C 1.532 0.279 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -67.25 -18.27 50.43 Favored 'Trans proline' 0 N--CA 1.451 -0.986 0 C-N-CA 122.715 2.277 . . . . 0.0 110.948 178.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 1.9 p -90.43 1.39 56.68 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 176.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 42.6 t -120.06 -70.05 0.81 Allowed 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 122.914 0.486 . . . . 0.0 110.38 -176.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 52.9 20.6 1.7 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.797 0.839 . . . . 0.0 112.629 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -70.51 142.32 51.86 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 122.238 -0.289 . . . . 0.0 110.34 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -83.21 100.23 10.45 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 176.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -85.49 147.75 26.3 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.639 0.256 . . . . 0.0 110.42 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 438' ' ' PHE . . . . . 0.41 ' CD2' ' C2 ' ' A' ' 2' ' ' ' G' . 20.1 m-30 -71.14 158.42 36.48 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 48.4 t -61.33 -28.84 69.5 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -171.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 440' ' ' TRP . . . . . 0.508 ' CZ2' " H1'" ' A' ' 1' ' ' ' U' . 48.2 p-90 -83.77 -10.55 58.01 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -176.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -78.68 148.04 33.29 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 118.122 0.419 . . . . 0.0 110.282 176.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 442' ' ' ASN . . . . . 0.513 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 88.2 m-20 -113.98 -7.7 13.11 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 122.651 0.38 . . . . 0.0 110.394 173.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 28.5 mp0 -135.43 157.82 45.92 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.629 0.772 . . . . 0.0 109.805 178.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 49.8 t -64.69 148.71 50.49 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.309 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -90.64 3.95 52.75 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.177 -176.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -136.62 -32.95 0.81 Allowed 'General case' 0 C--N 1.341 0.212 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -171.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 27.0 p -130.55 3.81 4.61 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.591 0.357 . . . . 0.0 111.883 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt 58.32 17.4 4.69 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.129 0.971 . . . . 0.0 113.195 175.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -66.49 141.57 97.18 Favored Pre-proline 0 CA--C 1.53 0.204 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.22 149.67 70.6 Favored 'Trans proline' 0 N--CA 1.449 -1.138 0 C-N-CA 123.215 2.61 . . . . 0.0 111.054 -176.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 451' ' ' LYS . . . . . 0.513 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 19.4 ttmt -68.49 -55.13 12.47 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-O 119.197 -0.43 . . . . 0.0 110.485 174.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 452' ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 47.2 Cg_endo -67.55 168.33 18.46 Favored 'Trans proline' 0 N--CA 1.449 -1.124 0 C-N-CA 122.882 2.388 . . . . 0.0 110.411 171.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -71.96 -3.86 25.1 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.177 0 CA-C-O 117.303 -1.832 . . . . 0.0 110.464 -179.867 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ' U' . . . . . 0.508 " H1'" ' CZ2' ' B' ' 440' ' ' TRP . . . . . . . . 0 O4'--C4' 1.416 -3.075 1 O4'-C1'-N19 112.302 4.102 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . 0.41 ' C2 ' ' CD2' ' B' ' 438' ' ' PHE . . . . . . . . 0 O4'--C4' 1.419 -2.844 0 C4'-C3'-C2' 100.297 -2.403 . 0.147 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.401 0 O4'-C1'-N19 111.523 3.323 . 0.448 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.976 0 C5'-C4'-C3' 110.216 -3.522 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.248 1 O4'-C1'-N19 112.228 4.028 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.16 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.62 167.46 24.2 Favored 'Trans proline' 0 N--CA 1.451 -0.994 0 C-N-CA 124.014 3.143 . . . . 0.0 110.767 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 96.6 mt -65.99 156.89 32.31 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 122.796 0.438 . . . . 0.0 110.369 178.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -178.92 161.76 28.3 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 29.4 t -71.13 147.74 48.11 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 122.776 0.431 . . . . 0.0 111.15 -178.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . -86.52 2.99 87.43 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -134.96 -39.6 0.77 Allowed 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 117.351 0.575 . . . . 0.0 110.4 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 59.51 153.51 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.944 1.298 . . . . 0.0 112.903 -178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 422' ' ' ARG . . . . . 0.404 ' HD2' ' C6 ' ' A' ' 2' ' ' ' G' . 73.6 mtt180 -145.04 155.91 43.63 Favored 'General case' 0 CA--C 1.527 0.077 0 C-N-CA 123.446 0.698 . . . . 0.0 109.522 175.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -70.03 -2.04 11.57 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -174.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . -104.05 -6.56 42.44 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -64.21 163.93 11.89 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -177.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 426' ' ' TRP . . . . . 0.425 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 67.8 p-90 -149.73 138.12 20.65 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.282 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -84.37 143.96 29.12 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.746 -0.206 . . . . 0.0 110.527 -176.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 46.9 t -62.19 131.74 93.66 Favored Pre-proline 0 N--CA 1.449 -0.478 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 177.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.49 -12.76 27.37 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.4 2.733 . . . . 0.0 111.704 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -72.84 124.37 90.66 Favored Pre-proline 0 CA--C 1.533 0.318 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -66.66 -17.89 53.09 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 122.764 2.309 . . . . 0.0 110.715 177.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 1.7 p -90.02 2.11 55.55 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 175.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 47.4 t -121.96 -68.68 0.88 Allowed 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 122.929 0.491 . . . . 0.0 110.505 -176.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 52.49 19.5 1.2 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.905 0.882 . . . . 0.0 112.628 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -71.42 137.14 48.07 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 122.258 -0.276 . . . . 0.0 110.27 178.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 1.1 ttm -81.55 108.32 15.03 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 173.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -87.47 149.52 24.36 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.132 0.573 . . . . 0.0 110.702 -178.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -63.17 153.92 32.88 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 178.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 92.2 p -61.95 -26.19 68.05 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -173.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 58.3 p-90 -88.97 -8.98 53.1 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -176.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -77.79 147.06 35.46 Favored 'General case' 0 C--N 1.339 0.111 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 176.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 442' ' ' ASN . . . . . 0.458 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 89.6 m-20 -111.43 -5.77 14.55 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 122.598 0.359 . . . . 0.0 110.604 175.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -141.75 159.27 42.57 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.069 0.548 . . . . 0.0 109.724 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 51.5 t -64.58 146.82 54.06 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.137 0.494 . . . . 0.0 110.083 -176.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -88.15 2.86 51.14 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.039 -176.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -136.05 -32.06 0.89 Allowed 'General case' 0 C--N 1.339 0.12 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -170.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 26.0 p -131.49 4.41 4.29 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 58.06 17.56 4.54 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.129 0.972 . . . . 0.0 113.379 175.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -66.7 141.61 97.02 Favored Pre-proline 0 N--CA 1.453 -0.29 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 175.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.89 149.96 66.8 Favored 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 123.01 2.473 . . . . 0.0 111.243 -176.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 451' ' ' LYS . . . . . 0.458 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.3 ttmt -68.27 -55.42 12.61 Favored Pre-proline 0 CA--C 1.532 0.278 0 C-N-CA 122.88 0.472 . . . . 0.0 110.129 174.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 452' ' ' PRO . . . . . 0.408 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 44.8 Cg_endo -66.86 168.48 16.91 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 122.526 2.151 . . . . 0.0 110.631 170.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -70.56 -11.61 61.04 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.118 0 CA-C-O 117.282 -1.843 . . . . 0.0 110.773 -178.699 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.399 0 O4'-C1'-N19 111.209 3.009 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . 0.404 ' C6 ' ' HD2' ' B' ' 422' ' ' ARG . . . . . . . . 0 O4'--C4' 1.423 -2.463 0 N19-C1'-C2' 109.197 -2.627 . 0.011 8d . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.926 0 C5'-C4'-C3' 110.105 -3.597 . 0.06 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.878 0 C4'-C3'-C2' 100.568 -2.132 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 C5'-C4'-C3' 111.299 -2.801 . 0.222 5p . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 414' ' ' GLY . . . . . 0.415 ' N ' HO2' ' A' ' 4' ' ' ' U' . . . . . . . . 0 N--CA 1.473 1.126 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.1 154.22 70.68 Favored 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 123.721 2.948 . . . . 0.0 110.425 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 86.0 mt -78.62 147.14 33.75 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.292 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 61.78 -158.62 32.64 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 47.2 t -75.27 -11.25 60.02 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.583 0.353 . . . . 0.0 110.42 176.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 72.19 173.67 21.34 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 14.3 pm0 -69.38 151.02 46.65 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 120.787 0.327 . . . . 0.0 110.214 177.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -137.51 152.25 49.29 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.048 0.539 . . . . 0.0 109.949 -177.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 422' ' ' ARG . . . . . 0.487 ' HD2' ' C6 ' ' A' ' 2' ' ' ' G' . 93.4 mtt180 -142.08 152.48 43.35 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 122.861 0.464 . . . . 0.0 110.093 177.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -62.4 127.96 33.79 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 103.93 -7.24 48.62 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -56.57 152.45 11.86 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 117.725 0.762 . . . . 0.0 111.578 172.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 426' ' ' TRP . . . . . 0.441 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 57.6 p-90 -153.81 144.99 22.9 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 120.973 0.415 . . . . 0.0 111.187 -176.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -93.75 149.11 21.5 Favored 'General case' 0 C--N 1.34 0.157 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 45.4 t -62.01 130.55 92.78 Favored Pre-proline 0 N--CA 1.448 -0.529 0 C-N-CA 122.703 0.401 . . . . 0.0 110.12 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -74.38 -13.14 22.98 Favored 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 123.669 2.912 . . . . 0.0 111.637 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -71.94 125.19 91.63 Favored Pre-proline 0 N--CA 1.454 -0.235 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -67.89 -17.73 46.75 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.891 2.394 . . . . 0.0 110.866 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.0 p -90.87 0.35 57.51 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 176.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 42.5 t -119.67 -68.51 0.91 Allowed 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 122.982 0.513 . . . . 0.0 110.629 -176.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 52.36 17.5 0.76 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.015 0.926 . . . . 0.0 112.757 -178.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -68.23 145.33 54.38 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 177.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 9.9 tpt -86.04 127.44 34.66 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 176.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -114.46 145.22 42.16 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.151 0.501 . . . . 0.0 110.758 -176.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -70.75 158.74 35.78 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -179.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 32.9 t -62.28 -30.52 71.19 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.045 0.538 . . . . 0.0 112.154 -173.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -82.08 -9.6 59.49 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 112.837 0.681 . . . . 0.0 112.837 -177.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -80.14 148.19 31.04 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-N 117.86 0.3 . . . . 0.0 110.56 175.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 442' ' ' ASN . . . . . 0.512 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 90.6 m-20 -115.73 -6.92 12.13 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.575 174.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 31.5 mp0 -136.04 157.84 45.86 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.487 0.715 . . . . 0.0 109.547 177.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 52.2 t -63.02 146.97 52.03 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 122.783 0.433 . . . . 0.0 110.014 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -87.06 3.65 45.23 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.117 -176.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -136.84 -33.81 0.76 Allowed 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -171.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 28.5 p -128.28 5.21 5.77 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm 57.98 16.43 3.73 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.851 0.86 . . . . 0.0 113.081 176.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.62 140.84 97.63 Favored Pre-proline 0 CA--C 1.533 0.325 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 176.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -70.12 147.99 61.78 Favored 'Trans proline' 0 N--CA 1.448 -1.152 0 C-N-CA 123.213 2.609 . . . . 0.0 110.819 -176.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 451' ' ' LYS . . . . . 0.512 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 19.4 ttmt -68.55 -56.48 9.94 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-O 119.061 -0.495 . . . . 0.0 110.477 174.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -69.83 177.38 5.69 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 122.905 2.404 . . . . 0.0 110.971 172.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 15.4 p30 -76.05 -10.27 59.28 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.243 0 CA-C-O 117.038 -1.979 . . . . 0.0 111.043 -178.026 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 O4'-C1'-N19 111.026 2.826 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . 0.487 ' C6 ' ' HD2' ' B' ' 422' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.73 0 O4'-C1'-N19 111.493 3.293 . 0.01 8d . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.44 0 O4'-C1'-N19 111.803 3.603 . 0.49 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ' U' . . . . . 0.415 HO2' ' N ' ' B' ' 414' ' ' GLY . . . . . . . . 0 O4'--C4' 1.417 -3.005 0 C5'-C4'-C3' 110.549 -3.301 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.364 0 C5'-C4'-C3' 109.54 -3.973 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.245 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.94 159.12 54.41 Favored 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 123.832 3.022 . . . . 0.0 110.598 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 87.0 mt -69.18 -17.45 63.8 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.6 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -75.91 -13.06 83.49 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 33.2 t -75.4 -15.95 60.4 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 117.547 0.674 . . . . 0.0 110.786 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . -84.61 -13.91 71.82 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 177.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -82.66 167.42 18.27 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 117.221 0.511 . . . . 0.0 110.152 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 20.2 tm0? -150.41 140.19 21.77 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 176.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 422' ' ' ARG . . . . . 0.484 ' HD2' ' C6 ' ' A' ' 2' ' ' ' G' . 91.6 mtt180 -143.38 151.9 40.97 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 123.029 0.532 . . . . 0.0 109.995 177.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -63.2 125.05 22.8 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 107.22 -7.7 37.67 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.501 -0.64 . . . . 0.0 111.501 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -56.48 149.46 17.08 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 117.769 0.784 . . . . 0.0 111.654 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 426' ' ' TRP . . . . . 0.423 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 57.0 p-90 -153.16 140.18 19.26 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.339 -174.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -88.03 148.42 24.52 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 49.1 t -62.73 130.06 93.44 Favored Pre-proline 0 N--CA 1.447 -0.577 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.65 -13.86 24.64 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 123.229 2.619 . . . . 0.0 111.552 -178.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -72.24 124.75 91.25 Favored Pre-proline 0 CA--C 1.534 0.336 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -68.44 -17.41 43.88 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 122.806 2.337 . . . . 0.0 110.59 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.5 p -91.39 0.72 57.47 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 176.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 42.4 t -119.41 -68.95 0.88 Allowed 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.184 0.593 . . . . 0.0 110.681 -176.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 53.08 17.99 1.05 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.869 0.868 . . . . 0.0 113.031 -177.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -65.66 140.3 58.47 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 9.6 tpt -86.08 105.85 16.8 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -90.57 147.89 23.04 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.818 0.342 . . . . 0.0 111.483 -175.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 438' ' ' PHE . . . . . 0.433 ' CE2' ' C5 ' ' A' ' 3' ' ' ' G' . 15.8 m-85 -69.39 156.49 38.74 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 178.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 91.7 p -62.29 -29.13 70.21 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -173.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 55.8 p-90 -84.64 -9.0 58.67 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -175.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -80.03 149.31 30.76 Favored 'General case' 0 N--CA 1.457 -0.089 0 O-C-N 122.296 -0.253 . . . . 0.0 110.566 175.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 442' ' ' ASN . . . . . 0.49 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 88.2 m-20 -114.71 -7.43 12.7 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 123.242 0.339 . . . . 0.0 110.619 174.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 30.2 mp0 -136.91 157.6 46.37 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.594 0.758 . . . . 0.0 110.025 178.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 50.3 t -64.35 147.16 53.16 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 122.834 0.453 . . . . 0.0 110.367 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -84.46 -1.32 55.49 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.209 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -134.26 -33.63 1.0 Allowed 'General case' 0 C--N 1.339 0.12 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -172.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 27.9 p -124.69 2.42 8.22 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 96.4 mttt 58.06 17.6 4.57 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.906 0.883 . . . . 0.0 112.801 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.7 140.16 97.96 Favored Pre-proline 0 N--CA 1.453 -0.294 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 175.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.29 148.78 62.4 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 122.94 2.427 . . . . 0.0 110.806 -176.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 451' ' ' LYS . . . . . 0.49 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.0 ttmt -67.86 -55.84 12.89 Favored Pre-proline 0 CA--C 1.539 0.525 0 CA-C-O 119.038 -0.506 . . . . 0.0 110.469 174.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 452' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 51.8 Cg_endo -67.5 165.88 25.72 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.665 2.244 . . . . 0.0 110.623 172.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -73.18 -10.98 60.35 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.288 -0.414 . . . . 0.0 109.936 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.181 0 CA-C-O 117.263 -1.854 . . . . 0.0 110.743 179.892 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.477 0 O4'-C1'-N19 111.835 3.635 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . 0.484 ' C6 ' ' HD2' ' B' ' 422' ' ' ARG . . . . . . . . 0 O4'--C4' 1.425 -2.307 0 O4'-C1'-N19 111.109 2.909 . 0.0 OUTLIER '7D dist 8d' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ' G' . . . . . 0.433 ' C5 ' ' CE2' ' B' ' 438' ' ' PHE . . . . . . . . 0 O4'--C4' 1.425 -2.356 0 C5'-C4'-C3' 110.626 -3.249 . 0.469 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ' U' . . . . . 0.433 " H3'" " H5'" ' A' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.055 0 C3'-C2'-C1' 103.582 2.313 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . 0.433 " H5'" " H3'" ' A' ' 4' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.414 -3.25 0 C5'-C4'-C3' 111.492 -2.672 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.07 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.2 157.5 61.43 Favored 'Trans proline' 0 N--CA 1.452 -0.968 0 C-N-CA 123.741 2.961 . . . . 0.0 111.067 -178.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 59.1 tp -156.66 153.21 28.15 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -75.37 1.58 56.15 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-O 119.972 -0.349 . . . . 0.0 112.453 -177.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 46.2 t -66.44 145.83 55.23 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 117.434 0.617 . . . . 0.0 110.881 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 168.71 161.0 17.98 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -147.48 171.83 14.92 Favored 'General case' 0 C--O 1.231 0.086 0 C-N-CA 123.456 0.702 . . . . 0.0 110.099 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 22.1 tm0? -142.34 138.28 31.13 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 176.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 422' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -147.7 156.21 42.53 Favored 'General case' 0 C--N 1.339 0.151 0 C-N-CA 122.87 0.468 . . . . 0.0 110.446 -176.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -62.19 131.39 49.28 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 177.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 105.05 -11.59 48.71 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -178.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -58.57 159.68 6.26 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 117.561 0.681 . . . . 0.0 111.768 173.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 426' ' ' TRP . . . . . 0.438 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 61.9 p-90 -151.77 148.04 27.39 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.732 -177.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -96.47 147.12 24.17 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.303 -177.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 49.8 t -61.92 129.63 91.92 Favored Pre-proline 0 N--CA 1.447 -0.598 0 C-N-CA 122.697 0.399 . . . . 0.0 110.051 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.52 -13.66 22.52 Favored 'Trans proline' 0 N--CA 1.451 -0.982 0 C-N-CA 123.441 2.76 . . . . 0.0 111.594 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -71.06 124.6 91.28 Favored Pre-proline 0 N--CA 1.452 -0.364 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.41 -17.38 44.04 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 122.55 2.166 . . . . 0.0 110.79 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.7 p -90.53 -0.45 57.67 Favored 'General case' 0 CA--C 1.527 0.066 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 175.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 42.1 t -118.91 -68.67 0.9 Allowed 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.822 0.449 . . . . 0.0 110.466 -176.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 52.5 17.61 0.81 Allowed 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.84 0.856 . . . . 0.0 112.825 -177.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -68.04 145.57 54.34 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.5 tpt -85.8 138.4 32.1 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 176.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -124.08 145.58 49.16 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.694 0.283 . . . . 0.0 110.872 -175.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 438' ' ' PHE . . . . . 0.508 ' CE1' " H2'" ' A' ' 2' ' ' ' G' . 20.5 m-85 -68.89 159.16 33.12 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 42.8 t -62.62 -31.4 72.24 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -172.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 440' ' ' TRP . . . . . 0.514 ' CZ2' " H1'" ' A' ' 1' ' ' ' U' . 52.4 p-90 -81.75 -11.84 58.84 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -176.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -76.38 145.89 39.1 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-N 117.938 0.335 . . . . 0.0 110.484 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 442' ' ' ASN . . . . . 0.448 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 90.2 m-20 -112.32 -5.72 14.12 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 122.784 0.434 . . . . 0.0 110.554 174.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -141.47 160.06 40.93 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.89 0.476 . . . . 0.0 110.007 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 42.1 t -65.3 151.49 46.08 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 123.146 0.578 . . . . 0.0 110.298 -178.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -92.22 4.64 52.83 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.278 -177.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -136.11 -33.84 0.82 Allowed 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -173.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 27.5 p -128.13 4.03 5.83 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 58.34 15.07 3.21 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.844 0.858 . . . . 0.0 112.892 176.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.35 140.77 97.86 Favored Pre-proline 0 N--CA 1.455 -0.224 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 177.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.64 150.09 68.47 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.077 2.518 . . . . 0.0 110.898 -176.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 451' ' ' LYS . . . . . 0.448 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.8 ttmt -66.3 -55.43 20.13 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-O 119.163 -0.446 . . . . 0.0 110.471 173.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 452' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 47.3 Cg_endo -67.64 169.9 14.96 Favored 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 122.705 2.27 . . . . 0.0 110.656 171.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -68.93 -12.05 61.25 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 CA-C-O 117.141 -1.922 . . . . 0.0 110.612 -178.574 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ' U' . . . . . 0.514 " H1'" ' CZ2' ' B' ' 440' ' ' TRP . . . . . . . . 0 O4'--C4' 1.42 -2.784 1 O4'-C1'-N19 112.513 4.313 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . 0.508 " H2'" ' CE1' ' B' ' 438' ' ' PHE . . . . . . . . 0 O4'--C4' 1.417 -2.96 0 N19-C1'-C2' 109.725 -2.297 . 0.238 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ' G' . . . . . 0.454 ' C5 ' ' CE1' ' B' ' 438' ' ' PHE . . . . . . . . 0 O4'--C4' 1.426 -2.22 0 C5'-C4'-C3' 110.325 -3.45 . 0.163 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.173 0 O4'-C1'-N19 110.604 2.404 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.307 0 C5'-C4'-C3' 110.195 -3.537 . 0.258 5q . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.174 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.89 164.84 33.17 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 123.865 3.043 . . . . 0.0 110.681 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 87.2 mt -75.31 -9.26 58.4 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.011 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 173.24 173.52 39.64 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 178.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 96.8 p -158.21 176.18 12.82 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.993 0.517 . . . . 0.0 109.93 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 75.7 -162.86 53.31 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -75.12 -6.82 51.59 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -177.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 47.93 60.04 3.82 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.325 0.65 . . . . 0.0 111.684 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 422' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -79.94 161.09 25.71 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 122.709 0.403 . . . . 0.0 110.518 -177.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -63.74 124.4 21.36 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 105.03 -9.07 46.3 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -62.35 159.71 14.75 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 117.333 0.566 . . . . 0.0 111.805 174.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 426' ' ' TRP . . . . . 0.419 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 60.2 p-90 -153.31 143.91 22.6 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 121.149 -0.22 . . . . 0.0 111.01 -177.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -90.53 148.43 22.72 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 49.6 t -63.18 129.8 93.72 Favored Pre-proline 0 N--CA 1.452 -0.33 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.4 -14.38 25.23 Favored 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 123.436 2.757 . . . . 0.0 111.391 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -71.07 124.86 91.71 Favored Pre-proline 0 CA--C 1.532 0.261 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.92 -18.11 46.63 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 122.698 2.265 . . . . 0.0 110.726 178.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.1 p -90.28 0.19 57.34 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 176.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 42.4 t -118.64 -69.38 0.85 Allowed 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.025 0.53 . . . . 0.0 110.294 -176.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 53.96 16.05 1.01 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.025 0.93 . . . . 0.0 112.489 -178.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -69.15 145.76 53.03 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 9.8 tpt -85.26 132.79 34.21 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 176.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -117.33 145.3 44.11 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.067 0.46 . . . . 0.0 110.643 -177.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -68.18 155.76 38.96 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -178.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 89.2 p -62.02 -26.54 68.3 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.099 0.56 . . . . 0.0 112.431 -173.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 57.8 p-90 -87.12 -8.6 56.84 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -176.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -81.11 151.59 28.22 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 117.729 0.24 . . . . 0.0 110.51 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 442' ' ' ASN . . . . . 0.484 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 90.7 m-20 -116.16 -4.96 11.9 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.768 0.427 . . . . 0.0 110.535 174.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -141.56 159.4 42.29 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.254 0.622 . . . . 0.0 109.736 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 45.8 t -63.91 149.01 48.11 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 122.882 0.473 . . . . 0.0 110.384 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -89.45 3.71 51.46 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.106 -176.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -136.9 -32.49 0.8 Allowed 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -172.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 28.0 p -129.75 3.31 4.95 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 96.1 mttt 57.64 18.12 4.5 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.903 0.881 . . . . 0.0 112.927 176.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.58 140.65 97.59 Favored Pre-proline 0 CA--C 1.531 0.212 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 175.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.9 148.05 63.35 Favored 'Trans proline' 0 N--CA 1.45 -1.036 0 C-N-CA 122.985 2.457 . . . . 0.0 111.259 -176.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 451' ' ' LYS . . . . . 0.484 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 19.1 ttmt -68.18 -55.9 11.92 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-O 119.097 -0.478 . . . . 0.0 110.64 174.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -68.33 164.31 33.01 Favored 'Trans proline' 0 N--CA 1.451 -1.027 0 C-N-CA 122.814 2.342 . . . . 0.0 110.685 172.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -76.41 -3.53 37.54 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.126 0 CA-C-O 117.324 -1.82 . . . . 0.0 110.946 -179.797 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.551 0 C5'-C4'-C3' 109.893 -3.738 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.482 0 C5'-C4'-C3' 112.097 -2.269 . 0.0 OUTLIER '7D dist 8d' 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.302 0 O4'-C1'-N19 112.188 3.988 . 0.59 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.022 0 O4'-C1'-N19 111.072 2.872 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.891 0 C5'-C4'-C3' 109.573 -3.952 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.171 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.22 -11.51 25.03 Favored 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 124.016 3.144 . . . . 0.0 111.435 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 45.1 mt -64.1 153.5 37.42 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 122.471 0.309 . . . . 0.0 111.014 -177.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -71.27 -18.64 76.87 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 177.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 44.0 t -162.37 147.7 12.6 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 122.866 0.466 . . . . 0.0 109.785 176.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . -93.12 135.7 12.77 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.314 -1.115 . . . . 0.0 110.314 178.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -161.44 153.77 20.02 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -137.17 143.17 42.26 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 176.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 422' ' ' ARG . . . . . 0.478 ' HD2' ' C6 ' ' A' ' 2' ' ' ' G' . 93.5 mtt180 -143.83 152.07 40.71 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.867 0.365 . . . . 0.0 110.606 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -63.05 128.24 34.95 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 177.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 104.2 -6.18 46.32 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -54.96 148.16 14.04 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 117.861 0.831 . . . . 0.0 111.134 171.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 426' ' ' TRP . . . . . 0.431 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 57.9 p-90 -152.95 141.85 21.17 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.025 -175.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -93.07 147.13 23.11 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -178.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 49.2 t -59.62 131.13 88.38 Favored Pre-proline 0 N--CA 1.449 -0.492 0 C-N-CA 122.875 0.47 . . . . 0.0 110.351 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.44 -13.27 27.7 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.46 2.773 . . . . 0.0 111.531 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -72.16 125.06 91.59 Favored Pre-proline 0 CA--C 1.531 0.231 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -67.58 -16.83 47.8 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.754 2.303 . . . . 0.0 110.755 177.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.8 p -91.34 1.32 57.2 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 176.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 42.5 t -120.13 -68.98 0.87 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.109 0.564 . . . . 0.0 110.416 -176.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 52.32 21.31 1.65 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.879 0.872 . . . . 0.0 112.666 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -71.19 138.08 49.24 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.984 -0.448 . . . . 0.0 110.06 178.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 2.6 tpt -80.39 100.59 8.54 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 176.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -86.63 147.46 25.9 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.867 0.365 . . . . 0.0 111.216 -177.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 13.6 m-30 -67.84 157.17 35.45 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 177.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 29.9 t -62.86 -33.12 74.6 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 123.099 0.56 . . . . 0.0 112.378 -173.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 58.2 p-90 -79.72 -10.85 59.85 Favored 'General case' 0 C--O 1.23 0.038 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -176.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -78.71 144.27 35.44 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-N 117.96 0.345 . . . . 0.0 110.23 176.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 442' ' ' ASN . . . . . 0.482 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 91.2 m-20 -110.73 -4.85 15.14 Favored 'General case' 0 C--O 1.23 0.064 0 C-N-CA 122.54 0.336 . . . . 0.0 110.458 174.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -140.87 159.3 42.51 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.186 0.594 . . . . 0.0 109.609 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 42.2 t -64.32 149.13 48.78 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.454 -176.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -89.49 3.38 52.59 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.885 -177.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -135.71 -33.45 0.86 Allowed 'General case' 0 CA--C 1.528 0.111 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -172.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 25.8 p -131.07 6.34 4.57 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -177.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp 57.68 16.22 3.34 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.09 0.956 . . . . 0.0 113.057 176.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.83 140.2 97.16 Favored Pre-proline 0 CA--C 1.531 0.234 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 176.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.72 149.19 66.84 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 122.992 2.461 . . . . 0.0 110.981 -176.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 451' ' ' LYS . . . . . 0.482 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 21.1 ttmt -67.37 -56.36 12.91 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-O 119.15 -0.452 . . . . 0.0 110.195 174.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 452' ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 46.7 Cg_endo -67.58 168.15 18.99 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.686 2.257 . . . . 0.0 110.45 172.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -72.27 -4.59 30.5 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 117.315 -1.825 . . . . 0.0 110.688 179.869 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 C5'-C4'-C3' 110.118 -3.588 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . 0.478 ' C6 ' ' HD2' ' B' ' 422' ' ' ARG . . . . . . . . 0 O4'--C4' 1.422 -2.599 0 O4'-C1'-N19 110.876 2.676 . 0.0 OUTLIER '7D dist 8d' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.255 0 C5'-C4'-C3' 110.662 -3.225 . 0.392 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.75 0 C3'-C2'-C1' 104.22 3.022 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.999 0 C5'-C4'-C3' 110.672 -3.219 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.104 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -56.89 151.91 46.17 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 123.883 3.055 . . . . 0.0 111.693 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 53.5 mt 56.17 16.74 2.41 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.61 0.764 . . . . 0.0 111.961 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -76.5 3.86 52.64 Favored Glycine 0 CA--C 1.529 0.927 0 N-CA-C 111.764 -0.534 . . . . 0.0 111.764 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 88.9 p -66.38 -14.16 61.71 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 117.372 0.586 . . . . 0.0 111.242 -177.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . -86.91 -8.62 75.71 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 111.982 -0.447 . . . . 0.0 111.982 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -75.18 157.57 34.36 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 117.36 0.58 . . . . 0.0 110.361 -178.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -131.71 147.62 52.52 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 175.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 422' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -145.54 154.28 42.01 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 123.009 0.524 . . . . 0.0 110.266 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -62.59 127.79 32.95 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 106.49 -10.34 42.27 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -61.81 160.02 12.71 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 117.543 0.672 . . . . 0.0 111.598 174.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 426' ' ' TRP . . . . . 0.43 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 63.4 p-90 -152.25 140.02 19.92 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 120.798 0.332 . . . . 0.0 110.608 -177.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -89.46 146.08 24.87 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 43.9 t -60.29 131.4 90.09 Favored Pre-proline 0 N--CA 1.447 -0.582 0 C-N-CA 122.839 0.455 . . . . 0.0 110.26 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -72.72 -13.21 26.97 Favored 'Trans proline' 0 N--CA 1.451 -1.027 0 C-N-CA 123.605 2.87 . . . . 0.0 111.716 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -71.87 125.17 91.66 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.52 -18.25 48.91 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 122.672 2.248 . . . . 0.0 110.714 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.1 p -90.32 0.76 57.1 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 176.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 42.7 t -118.5 -69.09 0.87 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.403 0.681 . . . . 0.0 110.47 -176.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 51.92 21.06 1.36 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.858 0.863 . . . . 0.0 112.793 -178.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -71.71 140.72 49.71 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 122.037 -0.415 . . . . 0.0 110.023 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -82.63 99.7 9.74 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 176.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -85.09 148.01 26.36 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.917 0.389 . . . . 0.0 110.57 -178.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -68.86 156.06 39.13 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 91.1 p -61.76 -26.91 68.37 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -172.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 57.0 p-90 -86.96 -9.64 55.14 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -176.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -79.69 147.07 32.1 Favored 'General case' 0 C--N 1.338 0.073 0 CA-C-N 117.81 0.277 . . . . 0.0 110.389 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 442' ' ' ASN . . . . . 0.489 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 89.3 m-20 -111.92 -5.08 14.38 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 122.762 0.425 . . . . 0.0 110.7 173.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -140.08 158.43 44.06 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.309 0.644 . . . . 0.0 109.574 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 48.7 t -64.67 149.55 48.84 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 122.796 0.438 . . . . 0.0 110.676 -176.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -92.49 7.49 42.9 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.196 -176.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -137.81 -33.59 0.71 Allowed 'General case' 0 C--N 1.339 0.146 0 O-C-N 122.394 -0.191 . . . . 0.0 111.491 -174.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 25.7 p -131.29 4.38 4.36 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 122.738 0.415 . . . . 0.0 111.872 -178.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 67.6 mttm 57.46 17.51 3.9 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.941 0.897 . . . . 0.0 113.349 175.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.79 142.29 98.08 Favored Pre-proline 0 N--CA 1.453 -0.284 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 175.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.25 147.73 60.32 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.082 2.522 . . . . 0.0 111.231 -176.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 451' ' ' LYS . . . . . 0.489 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 19.8 ttmt -66.92 -57.07 12.13 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-O 118.91 -0.567 . . . . 0.0 110.495 175.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 452' ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 52.6 Cg_endo -67.83 165.78 26.68 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 122.799 2.333 . . . . 0.0 110.528 173.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -76.89 -3.97 41.4 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 CA-C-O 117.313 -1.826 . . . . 0.0 110.818 -179.564 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.789 0 C5'-C4'-C3' 109.742 -3.839 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . 0.524 " H2'" H5'' ' A' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C5'-C4'-C3' 111.519 -2.654 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ' G' . . . . . 0.524 H5'' " H2'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.208 0 C4'-C3'-C2' 99.687 -3.013 . 0.01 7r . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ' U' . . . . . 0.406 " H3'" " H5'" ' A' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.306 0 C5'-C4'-C3' 109.795 -3.804 . 0.101 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . 0.406 " H5'" " H3'" ' A' ' 4' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.414 -3.29 0 C5'-C4'-C3' 110.138 -3.575 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.136 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.05 160.45 49.84 Favored 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 123.903 3.069 . . . . 0.0 110.759 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 78.3 mt -73.03 151.01 41.92 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.296 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -83.77 -7.5 85.76 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 70.0 m -75.36 163.41 27.48 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.792 0.437 . . . . 0.0 110.729 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 76.45 176.85 42.93 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 -76.13 167.34 22.04 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.782 0.325 . . . . 0.0 110.571 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -147.21 140.53 25.38 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.161 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 422' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -143.11 157.0 44.92 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 123.436 0.694 . . . . 0.0 109.952 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -70.65 -2.81 15.57 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -175.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . -99.27 -8.42 53.21 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 178.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -65.02 166.44 9.37 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.043 0.537 . . . . 0.0 112.088 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 426' ' ' TRP . . . . . 0.431 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 67.0 p-90 -149.85 142.12 24.17 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.96 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -86.61 144.85 26.98 Favored 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 48.5 t -62.25 130.75 93.28 Favored Pre-proline 0 N--CA 1.448 -0.557 0 C-N-CA 123.123 0.569 . . . . 0.0 109.776 178.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.81 -13.11 26.74 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.816 3.011 . . . . 0.0 111.783 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -72.11 125.2 91.56 Favored Pre-proline 0 CA--C 1.535 0.376 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.51 -17.21 48.6 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.717 2.278 . . . . 0.0 110.66 177.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.6 p -91.47 0.52 57.5 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 176.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 43.9 t -119.84 -68.27 0.92 Allowed 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.958 0.503 . . . . 0.0 110.374 -176.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 52.53 15.72 0.54 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.249 1.019 . . . . 0.0 112.966 -178.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -70.41 142.39 52.05 Favored 'General case' 0 N--CA 1.456 -0.136 0 O-C-N 122.039 -0.413 . . . . 0.0 110.202 177.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 7.1 ttm -83.97 136.73 33.95 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 173.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -119.82 146.95 45.23 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.239 0.616 . . . . 0.0 110.23 -174.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -62.11 153.83 28.85 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 94.2 p -62.32 -26.62 68.53 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 122.986 0.514 . . . . 0.0 112.066 -171.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -87.97 -10.0 51.79 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -176.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -75.46 143.98 42.34 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 117.975 0.352 . . . . 0.0 110.233 176.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 442' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -108.43 -6.11 16.34 Favored 'General case' 0 C--N 1.334 -0.103 0 C-N-CA 122.537 0.335 . . . . 0.0 110.382 175.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -141.26 159.37 42.37 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 122.973 0.509 . . . . 0.0 110.556 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 52.4 t -64.7 145.78 55.7 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.018 0.527 . . . . 0.0 110.499 -177.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -80.44 -1.25 40.71 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.035 0.534 . . . . 0.0 111.044 -177.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -134.67 -41.14 0.78 Allowed 'General case' 0 C--N 1.34 0.185 0 CA-C-N 118.241 0.473 . . . . 0.0 111.809 -172.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 27.5 p -115.63 1.12 13.47 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.337 0.255 . . . . 0.0 111.598 -178.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm 57.83 18.69 5.1 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.875 0.87 . . . . 0.0 112.788 175.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -66.71 143.03 97.89 Favored Pre-proline 0 CA--C 1.532 0.273 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 175.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.58 148.66 66.74 Favored 'Trans proline' 0 N--CA 1.45 -1.054 0 C-N-CA 122.93 2.42 . . . . 0.0 111.16 -176.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 451' ' ' LYS . . . . . 0.431 ' HB2' ' CZ2' ' B' ' 426' ' ' TRP . 19.7 ttmt -67.0 -55.49 16.11 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-O 119.323 -0.37 . . . . 0.0 110.427 174.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 452' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 53.0 Cg_endo -67.59 168.98 16.79 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.596 2.198 . . . . 0.0 110.676 172.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -70.65 -4.43 23.38 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 117.379 -1.789 . . . . 0.0 110.525 -179.92 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.954 0 O4'-C1'-N19 111.613 3.413 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.383 0 N19-C1'-C2' 109.377 -2.514 . 0.0 OUTLIER '7D dist 8d' 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.682 0 C5'-C4'-C3' 110.375 -3.417 . 0.073 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 0 C3'-C2'-C1' 103.382 2.091 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.058 0 O4'-C1'-N19 112.092 3.892 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.998 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.11 163.73 37.48 Favored 'Trans proline' 0 N--CA 1.452 -0.955 0 C-N-CA 123.66 2.907 . . . . 0.0 110.484 177.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 86.3 mt -73.78 -6.47 47.18 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.918 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 83.66 -176.96 52.48 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.677 -0.569 . . . . 0.0 111.677 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 37.2 t -68.52 161.68 27.33 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.217 0.607 . . . . 0.0 111.207 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . -73.0 -6.74 68.81 Favored Glycine 0 CA--C 1.532 1.151 0 N-CA-C 111.663 -0.575 . . . . 0.0 111.663 178.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 420' ' ' GLN . . . . . 0.543 ' HG3' ' H21' ' A' ' 2' ' ' ' G' . 7.2 tp-100 -61.68 128.48 36.47 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 117.372 0.586 . . . . 0.0 109.624 176.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -152.62 144.88 23.93 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.266 0.226 . . . . 0.0 110.538 -177.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 422' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -143.67 157.77 44.16 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 123.572 0.749 . . . . 0.0 109.734 -179.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -62.35 128.7 37.3 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 105.9 -12.02 45.43 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 110.779 -0.929 . . . . 0.0 110.779 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -60.81 162.42 6.81 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 117.41 0.605 . . . . 0.0 112.291 174.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 426' ' ' TRP . . . . . 0.436 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 59.0 p-90 -153.52 137.84 16.63 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.926 0.393 . . . . 0.0 110.708 -178.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -87.53 146.08 25.95 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 38.9 t -59.56 131.51 88.32 Favored Pre-proline 0 N--CA 1.45 -0.457 0 C-N-CA 122.674 0.39 . . . . 0.0 110.271 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.1 -14.62 28.97 Favored 'Trans proline' 0 N--CA 1.45 -1.041 0 C-N-CA 123.469 2.779 . . . . 0.0 111.376 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -71.0 125.04 91.98 Favored Pre-proline 0 N--CA 1.452 -0.333 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -67.09 -17.19 50.67 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 122.745 2.297 . . . . 0.0 110.947 178.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.3 p -90.99 -2.12 57.74 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 176.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 42.6 t -115.87 -67.4 1.0 Allowed 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.607 0.363 . . . . 0.0 110.7 -175.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 51.75 20.54 1.16 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.033 0.933 . . . . 0.0 113.028 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -72.0 143.3 49.23 Favored 'General case' 0 N--CA 1.455 -0.188 0 O-C-N 121.973 -0.454 . . . . 0.0 110.502 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -82.94 100.2 10.27 Favored 'General case' 0 C--O 1.23 0.078 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 175.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -85.08 147.2 26.77 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 122.44 0.296 . . . . 0.0 110.382 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -70.7 158.91 35.43 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 42.1 t -62.49 -28.12 69.61 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 122.967 0.507 . . . . 0.0 112.299 -173.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 -85.74 -8.72 57.99 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -177.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 89.9 mtt-85 -80.45 150.72 29.62 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 117.908 0.322 . . . . 0.0 110.605 175.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 442' ' ' ASN . . . . . 0.499 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 88.6 m-20 -117.5 -7.29 11.13 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 122.715 0.406 . . . . 0.0 110.308 173.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 29.6 mp0 -135.71 158.06 45.32 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.577 0.751 . . . . 0.0 109.679 177.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 51.7 t -65.73 147.5 53.28 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 120.986 0.422 . . . . 0.0 110.356 -177.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -84.85 -2.48 57.83 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.032 -177.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -134.06 -30.78 1.18 Allowed 'General case' 0 C--O 1.233 0.195 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -171.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 26.8 p -129.06 3.19 5.26 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.477 0.311 . . . . 0.0 111.754 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 61.7 mttp 58.12 17.6 4.64 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 124.129 0.971 . . . . 0.0 113.057 175.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -66.5 141.82 97.31 Favored Pre-proline 0 N--CA 1.452 -0.342 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 175.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.76 149.85 67.47 Favored 'Trans proline' 0 N--CA 1.45 -1.042 0 C-N-CA 123.126 2.55 . . . . 0.0 110.899 -177.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 451' ' ' LYS . . . . . 0.499 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 19.5 ttmt -68.36 -56.76 9.84 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-O 119.202 -0.428 . . . . 0.0 110.348 174.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -68.33 165.59 28.29 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 122.75 2.3 . . . . 0.0 110.607 173.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -76.49 -11.84 59.94 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.78 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.146 0 CA-C-O 117.317 -1.824 . . . . 0.0 110.755 179.572 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.534 0 O4'-C1'-N19 111.285 3.085 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . 0.543 ' H21' ' HG3' ' B' ' 420' ' ' GLN . . . . . . . . 0 O4'--C4' 1.424 -2.44 0 C5'-C4'-C3' 111.478 -2.681 . 0.011 8d . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.946 1 C5'-C4'-C3' 109.299 -4.134 . 0.039 7r . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C5'-C4'-C3' 109.565 -3.957 . 0.308 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 C5'-C4'-C3' 110.114 -3.59 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.14 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.5 -13.15 27.53 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 123.783 2.989 . . . . 0.0 111.249 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 63.4 tp -65.96 150.89 47.92 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.142 0.577 . . . . 0.0 110.429 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 83.46 -173.97 51.74 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 77.6 p -68.64 147.41 51.93 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.888 0.375 . . . . 0.0 110.533 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . -89.4 2.93 83.65 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 112.247 -0.341 . . . . 0.0 112.247 -178.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -142.55 167.43 22.1 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 117.58 0.69 . . . . 0.0 110.677 -176.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -138.99 140.34 38.17 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 175.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 422' ' ' ARG . . . . . 0.504 ' HD2' ' C6 ' ' A' ' 2' ' ' ' G' . 91.1 mtt180 -143.15 152.33 41.68 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.231 0.539 . . . . 0.0 110.792 -176.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -62.51 129.22 39.65 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 103.43 -7.13 50.51 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -55.17 149.72 11.99 Favored 'General case' 0 C--N 1.338 0.08 0 CA-C-N 117.629 0.715 . . . . 0.0 111.395 171.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 426' ' ' TRP . . . . . 0.426 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 55.9 p-90 -153.44 145.26 23.51 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.05 -176.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -93.89 149.23 21.41 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 47.8 t -62.2 130.13 92.73 Favored Pre-proline 0 N--CA 1.452 -0.343 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -73.92 -13.89 23.96 Favored 'Trans proline' 0 N--CA 1.451 -0.982 0 C-N-CA 123.656 2.904 . . . . 0.0 111.737 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 430' ' ' ASN . . . . . 0.41 ' HB3' ' HB3' ' B' ' 433' ' ' CYS . 7.6 t-20 -71.27 124.98 91.86 Favored Pre-proline 0 CA--C 1.533 0.322 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -179.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -67.76 -17.08 47.3 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 122.619 2.213 . . . . 0.0 110.593 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 1.5 p -92.54 6.43 47.24 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 176.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 433' ' ' CYS . . . . . 0.41 ' HB3' ' HB3' ' B' ' 430' ' ' ASN . 45.6 t -126.04 -68.87 0.8 Allowed 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.894 0.477 . . . . 0.0 110.487 -177.081 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 53.61 15.78 0.83 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.022 0.929 . . . . 0.0 112.675 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -67.48 145.7 54.71 Favored 'General case' 0 N--CA 1.457 -0.096 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.3 tpt -85.28 132.43 34.26 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 176.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -118.91 145.62 45.59 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.899 0.38 . . . . 0.0 110.96 -176.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -71.77 158.96 35.16 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 38.5 t -62.36 -31.25 71.87 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.969 0.507 . . . . 0.0 112.109 -173.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 54.2 p-90 -82.12 -10.02 59.33 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -177.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -79.5 148.67 31.74 Favored 'General case' 0 C--N 1.34 0.166 0 CA-C-N 117.828 0.285 . . . . 0.0 110.443 176.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 442' ' ' ASN . . . . . 0.414 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 91.1 m-20 -114.25 -5.17 12.99 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.002 0.521 . . . . 0.0 110.291 173.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -140.51 160.09 40.76 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.262 0.625 . . . . 0.0 110.105 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 50.8 t -64.42 148.35 50.68 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.268 -179.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -88.03 4.28 45.73 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.736 0.415 . . . . 0.0 109.961 -176.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -136.85 -32.42 0.81 Allowed 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -172.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 26.9 p -130.22 2.7 4.71 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.616 0.367 . . . . 0.0 111.737 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp 57.03 18.72 4.17 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 177.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.67 139.48 97.77 Favored Pre-proline 0 N--CA 1.454 -0.227 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 174.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.35 148.17 67.14 Favored 'Trans proline' 0 N--CA 1.449 -1.12 0 C-N-CA 123.039 2.493 . . . . 0.0 111.051 -176.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 451' ' ' LYS . . . . . 0.426 ' HB2' ' CZ2' ' B' ' 426' ' ' TRP . 20.9 ttmt -67.08 -55.54 15.73 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-O 119.166 -0.445 . . . . 0.0 110.543 174.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 452' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 52.0 Cg_endo -67.43 170.79 12.85 Favored 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 122.926 2.418 . . . . 0.0 110.805 171.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -71.91 -3.8 24.56 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.249 0 CA-C-O 117.219 -1.878 . . . . 0.0 110.396 -179.784 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.493 0 C5'-C4'-C3' 110.045 -3.636 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . 0.504 ' C6 ' ' HD2' ' B' ' 422' ' ' ARG . . . . . . . . 0 O4'--C4' 1.423 -2.467 0 O4'-C1'-N19 110.963 2.763 . 0.0 OUTLIER '7D dist 8d' 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ' G' . . . . . 0.434 " H4'" " H5'" ' A' ' 4' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 C5'-C4'-C3' 110.475 -3.35 . 0.585 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ' U' . . . . . 0.434 " H5'" " H4'" ' A' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.877 0 O4'-C1'-N19 111.339 3.139 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 C5'-C4'-C3' 110.295 -3.47 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.3 0 N-CA-C 111.539 -0.624 . . . . 0.0 111.539 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.26 163.2 38.77 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 123.937 3.092 . . . . 0.0 110.965 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 67.2 tp -69.77 -23.63 63.39 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.513 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 69.3 -164.95 50.05 Favored Glycine 0 CA--C 1.529 0.936 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 47.8 t -69.02 156.03 39.33 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 73.14 -157.52 52.31 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -152.7 161.24 42.83 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 122.536 0.334 . . . . 0.0 110.361 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -153.69 142.8 21.33 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 122.745 0.418 . . . . 0.0 109.966 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 422' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -144.72 155.35 43.51 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 123.113 0.565 . . . . 0.0 110.003 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -63.78 126.13 26.59 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 108.68 -9.35 34.81 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -59.74 155.67 15.47 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 117.889 0.845 . . . . 0.0 111.564 173.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 426' ' ' TRP . . . . . 0.43 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 53.2 p-90 -153.27 144.51 23.09 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.148 -177.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -93.89 149.81 20.91 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 49.7 t -61.55 130.35 91.96 Favored Pre-proline 0 N--CA 1.452 -0.36 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -73.89 -13.78 24.07 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 123.496 2.798 . . . . 0.0 111.631 -179.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -72.36 125.74 91.26 Favored Pre-proline 0 CA--C 1.532 0.271 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -68.34 -18.45 44.3 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 122.821 2.347 . . . . 0.0 110.548 178.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 1.9 p -89.45 0.27 56.98 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 175.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 42.3 t -119.8 -71.61 0.73 Allowed 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.09 0.556 . . . . 0.0 110.618 -176.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 54.38 17.97 1.74 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.847 0.859 . . . . 0.0 112.744 -177.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -68.61 149.59 48.98 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 176.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.4 tpt -90.73 127.44 36.32 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -115.4 145.75 42.25 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.129 0.49 . . . . 0.0 110.777 -175.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 438' ' ' PHE . . . . . 0.404 ' CE2' ' C4 ' ' A' ' 3' ' ' ' G' . 13.8 m-85 -71.05 159.27 35.04 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 178.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 40.7 t -63.29 -30.4 71.54 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -174.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 57.1 p-90 -80.07 -11.65 59.75 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -177.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -78.37 147.1 34.26 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 117.94 0.336 . . . . 0.0 110.362 174.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 442' ' ' ASN . . . . . 0.415 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 91.0 m-20 -113.22 -5.95 13.63 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 122.668 0.387 . . . . 0.0 110.61 174.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -141.66 159.31 42.48 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.234 0.614 . . . . 0.0 110.164 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 47.6 t -64.17 152.25 41.17 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 123.26 0.624 . . . . 0.0 110.802 -177.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -92.21 3.54 55.13 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 122.885 0.474 . . . . 0.0 109.914 -176.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -135.62 -32.81 0.89 Allowed 'General case' 0 C--O 1.233 0.202 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -172.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 26.4 p -130.59 3.43 4.58 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.601 0.36 . . . . 0.0 111.741 -177.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 96.6 mttt 56.49 18.35 3.48 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.9 0.88 . . . . 0.0 113.186 176.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.91 139.94 97.94 Favored Pre-proline 0 N--CA 1.454 -0.238 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.96 147.42 61.55 Favored 'Trans proline' 0 N--CA 1.449 -1.119 0 C-N-CA 122.95 2.434 . . . . 0.0 111.091 -176.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 451' ' ' LYS . . . . . 0.43 ' HE2' ' NE1' ' B' ' 426' ' ' TRP . 20.7 ttmt -65.89 -56.44 17.54 Favored Pre-proline 0 CA--C 1.535 0.382 0 CA-C-O 119.258 -0.401 . . . . 0.0 110.352 174.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 452' ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 56.1 Cg_endo -68.31 168.04 20.54 Favored 'Trans proline' 0 N--CA 1.449 -1.137 0 C-N-CA 122.85 2.366 . . . . 0.0 110.775 172.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -72.23 -4.22 28.21 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 CA-C-O 117.068 -1.962 . . . . 0.0 110.428 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.605 0 C5'-C4'-C3' 109.857 -3.762 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 N19-C1'-C2' 109.369 -2.519 . 0.01 8d . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ' G' . . . . . 0.404 ' C4 ' ' CE2' ' B' ' 438' ' ' PHE . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 O4'-C1'-N19 111.881 3.681 . 0.526 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C5'-C4'-C3' 110.538 -3.308 . 0.315 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.659 0 C5'-C4'-C3' 110.523 -3.318 . 0.068 1o . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.059 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -57.94 159.93 16.69 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 124.196 3.264 . . . . 0.0 111.877 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 80.5 mt -71.72 153.96 41.67 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.369 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -69.44 147.17 45.14 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 20.9 t 57.06 16.45 2.9 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.331 0.652 . . . . 0.0 111.824 -176.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 76.97 177.06 44.8 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -70.6 158.64 35.8 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 122.63 0.372 . . . . 0.0 110.282 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -151.92 140.27 20.48 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 116.799 -0.182 . . . . 0.0 110.625 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 422' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -142.57 156.24 45.08 Favored 'General case' 0 C--N 1.339 0.116 0 C-N-CA 123.676 0.791 . . . . 0.0 109.433 177.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -69.62 -1.25 8.36 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -173.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . -105.53 -6.41 38.39 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -61.39 160.66 10.5 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 122.849 0.46 . . . . 0.0 112.062 -178.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 426' ' ' TRP . . . . . 0.436 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 61.6 p-90 -152.84 139.22 18.53 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -89.4 146.6 24.56 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 48.6 t -61.04 131.03 91.77 Favored Pre-proline 0 N--CA 1.45 -0.472 0 C-N-CA 122.949 0.5 . . . . 0.0 109.922 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -73.07 -13.52 26.09 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.479 2.786 . . . . 0.0 111.226 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -71.02 124.6 91.29 Favored Pre-proline 0 CA--C 1.531 0.227 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -67.66 -17.31 47.85 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 122.56 2.174 . . . . 0.0 110.637 178.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.4 p -90.24 1.0 56.95 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 176.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 46.9 t -120.41 -68.65 0.89 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 122.926 0.491 . . . . 0.0 110.599 -176.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 52.47 21.46 1.77 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.854 0.862 . . . . 0.0 112.61 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -71.55 142.16 50.08 Favored 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 122.131 -0.355 . . . . 0.0 110.632 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -83.58 100.44 10.81 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.308 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -85.63 147.74 26.24 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 122.617 0.367 . . . . 0.0 110.61 -179.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -69.81 159.54 33.41 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 46.5 t -62.1 -31.97 72.48 Favored 'General case' 0 CA--C 1.527 0.089 0 C-N-CA 123.173 0.589 . . . . 0.0 112.107 -173.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 53.1 p-90 -81.71 -11.41 59.06 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -176.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -77.71 146.25 36.1 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 117.946 0.339 . . . . 0.0 110.749 176.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 442' ' ' ASN . . . . . 0.435 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 88.8 m-20 -112.12 -6.3 14.16 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 122.828 0.451 . . . . 0.0 110.319 174.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -139.98 159.26 42.58 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.212 0.605 . . . . 0.0 109.907 178.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 50.2 t -64.53 145.33 56.3 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.019 0.438 . . . . 0.0 110.575 -178.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -80.95 -1.81 45.18 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.928 -177.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -133.99 -31.32 1.15 Allowed 'General case' 0 C--O 1.233 0.2 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -171.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 24.9 p -129.88 4.27 4.94 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp 56.32 18.58 3.46 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 176.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.5 139.55 97.76 Favored Pre-proline 0 N--CA 1.454 -0.264 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 174.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.57 146.69 62.18 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.786 2.324 . . . . 0.0 111.137 -175.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 451' ' ' LYS . . . . . 0.436 ' HB2' ' CZ2' ' B' ' 426' ' ' TRP . 20.0 ttmt -66.63 -55.45 18.26 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.282 174.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 452' ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 49.2 Cg_endo -67.12 170.81 12.4 Favored 'Trans proline' 0 N--CA 1.45 -1.04 0 C-N-CA 122.823 2.349 . . . . 0.0 110.689 171.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -70.2 -4.14 20.24 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 117.082 -1.954 . . . . 0.0 110.419 179.569 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 1 O4'-C1'-N19 112.448 4.248 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.225 0 O4'-C1'-N19 110.765 2.565 . 0.0 OUTLIER '7D dist 8d' 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.533 0 O4'-C1'-N19 111.741 3.541 . 0.564 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 0 C5'-C4'-C3' 110.163 -3.558 . 0.111 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.717 1 O4'-C1'-N19 112.428 4.228 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.069 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -69.64 162.56 41.56 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 123.95 3.1 . . . . 0.0 110.613 178.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.77 153.24 42.39 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-O 120.755 0.312 . . . . 0.0 110.306 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -74.73 140.93 27.71 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 35.0 t -163.21 163.58 25.44 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 122.687 0.395 . . . . 0.0 110.186 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 104.37 5.7 42.6 Favored Glycine 0 CA--C 1.533 1.214 0 CA-C-O 119.715 -0.492 . . . . 0.0 112.122 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 -135.43 150.39 49.85 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 117.525 0.663 . . . . 0.0 110.175 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -157.78 138.21 12.8 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.896 0.478 . . . . 0.0 109.821 177.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 422' ' ' ARG . . . . . 0.496 ' HD2' ' C6 ' ' A' ' 2' ' ' ' G' . 93.4 mtt180 -144.34 152.97 41.49 Favored 'General case' 0 CA--C 1.522 -0.115 0 C-N-CA 122.641 0.376 . . . . 0.0 110.366 177.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -62.44 127.81 33.06 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 105.62 -7.52 42.55 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -55.83 150.34 13.2 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-N 117.584 0.692 . . . . 0.0 111.654 173.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 426' ' ' TRP . . . . . 0.429 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 58.5 p-90 -153.86 146.97 24.6 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.151 -176.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -95.63 148.5 22.47 Favored 'General case' 0 C--N 1.338 0.091 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.082 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 49.4 t -61.75 129.79 91.8 Favored Pre-proline 0 N--CA 1.449 -0.501 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.19 -13.46 23.37 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 123.622 2.881 . . . . 0.0 111.482 -178.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -71.95 125.02 91.67 Favored Pre-proline 0 N--CA 1.454 -0.265 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -179.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.69 -19.35 41.72 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 122.941 2.427 . . . . 0.0 110.54 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.3 p -89.29 0.44 56.8 Favored 'General case' 0 C--N 1.339 0.116 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 176.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 42.3 t -118.24 -68.77 0.89 Allowed 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 122.952 0.501 . . . . 0.0 110.543 -177.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 53.06 17.12 0.86 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.208 1.003 . . . . 0.0 112.799 -177.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -68.34 144.42 54.8 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 177.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.9 tpt -84.55 135.3 34.27 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 175.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -121.05 144.92 48.29 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 121.052 0.453 . . . . 0.0 110.88 -176.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -67.88 155.86 38.45 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 90.1 p -62.24 -27.63 69.13 Favored 'General case' 0 C--O 1.231 0.093 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -172.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -86.33 -9.02 57.22 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -176.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -78.64 147.44 33.6 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 175.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 442' ' ' ASN . . . . . 0.461 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 90.2 m-20 -112.8 -4.98 13.92 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 122.751 0.421 . . . . 0.0 110.608 174.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -142.34 159.6 41.92 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.043 0.537 . . . . 0.0 110.089 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 43.3 t -64.44 148.53 50.33 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 122.878 0.471 . . . . 0.0 110.238 -177.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -89.51 5.04 47.23 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.196 -0.457 . . . . 0.0 109.935 -176.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -136.85 -33.36 0.78 Allowed 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -172.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 27.8 p -129.39 3.93 5.14 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -178.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp 58.6 15.71 3.82 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.911 0.884 . . . . 0.0 112.693 176.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.99 140.95 98.26 Favored Pre-proline 0 CA--C 1.531 0.212 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 176.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.72 149.23 66.9 Favored 'Trans proline' 0 N--CA 1.449 -1.092 0 C-N-CA 123.106 2.537 . . . . 0.0 110.971 -176.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 451' ' ' LYS . . . . . 0.461 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.4 ttmt -67.33 -55.46 15.25 Favored Pre-proline 0 CA--C 1.535 0.393 0 C-N-CA 122.639 0.376 . . . . 0.0 110.295 173.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 452' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 55.5 Cg_endo -68.44 178.4 3.8 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 122.978 2.452 . . . . 0.0 110.539 171.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 16.0 p30 -71.68 -6.48 41.41 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 CA-C-O 117.28 -1.845 . . . . 0.0 110.816 -179.724 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 C5'-C4'-C3' 110.076 -3.616 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . 0.496 ' C6 ' ' HD2' ' B' ' 422' ' ' ARG . . . . . . . . 0 O4'--C4' 1.425 -2.312 0 O4'-C1'-N19 111.082 2.882 . 0.0 OUTLIER '7D dist 8d' 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.502 0 C5'-C4'-C3' 111.129 -2.914 . 0.397 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.299 0 C3'-C2'-C1' 103.901 2.668 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.742 0 C5'-C4'-C3' 111.693 -2.538 . 0.01 5j . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.237 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.13 163.96 35.75 Favored 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 123.901 3.068 . . . . 0.0 110.936 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -74.15 -2.78 26.11 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 77.13 -172.5 55.1 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.811 -0.516 . . . . 0.0 111.811 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 45.6 t -77.55 156.94 30.6 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 122.916 0.487 . . . . 0.0 110.586 -178.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . -79.5 -13.17 82.92 Favored Glycine 0 CA--C 1.529 0.936 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 176.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -77.11 156.42 31.68 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 117.56 0.68 . . . . 0.0 110.513 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -140.77 137.59 33.49 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.45 0.7 . . . . 0.0 109.553 175.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 422' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -143.83 155.04 43.99 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.031 0.532 . . . . 0.0 109.889 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -62.26 126.85 28.75 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -178.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 103.14 -8.2 53.12 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 177.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -56.8 154.07 9.8 Favored 'General case' 0 C--N 1.341 0.204 0 CA-C-N 117.677 0.738 . . . . 0.0 112.035 173.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 426' ' ' TRP . . . . . 0.441 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 60.2 p-90 -153.75 140.55 19.09 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.934 -177.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -88.24 148.89 24.13 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 36.4 t -63.45 130.8 94.54 Favored Pre-proline 0 N--CA 1.449 -0.502 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 178.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.9 -12.87 24.08 Favored 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 123.322 2.681 . . . . 0.0 111.805 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -71.6 125.5 91.73 Favored Pre-proline 0 CA--C 1.532 0.285 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -69.0 -19.23 40.02 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 122.729 2.286 . . . . 0.0 111.212 -178.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.6 p -89.92 -7.15 54.82 Favored 'General case' 0 C--N 1.338 0.104 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 176.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 41.9 t -106.8 -69.98 0.81 Allowed 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.03 0.532 . . . . 0.0 110.304 -176.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 53.01 17.55 0.93 Allowed 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.879 0.871 . . . . 0.0 112.768 -177.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -67.08 144.51 56.07 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 8.8 tpt -87.55 108.15 18.92 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -92.76 146.9 23.3 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.084 0.469 . . . . 0.0 110.996 -176.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -70.28 158.97 34.92 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 31.4 t -61.78 -32.98 73.29 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 123.046 0.538 . . . . 0.0 112.372 -173.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 53.3 p-90 -81.88 -9.39 59.61 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -175.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -80.08 151.77 29.7 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 117.915 0.325 . . . . 0.0 110.84 177.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 442' ' ' ASN . . . . . 0.485 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 91.3 m-20 -116.08 -6.8 11.93 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 122.869 0.468 . . . . 0.0 110.584 174.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -140.91 160.26 40.45 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.161 0.585 . . . . 0.0 109.746 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 44.2 t -64.69 150.05 47.93 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 122.874 0.47 . . . . 0.0 110.756 -177.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -92.35 4.23 53.8 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.344 -177.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -135.6 -32.63 0.9 Allowed 'General case' 0 C--N 1.341 0.2 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -172.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 26.2 p -131.51 3.47 4.22 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.542 0.337 . . . . 0.0 111.674 -178.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm 57.99 17.69 4.58 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 124.075 0.95 . . . . 0.0 113.152 176.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.68 140.49 97.43 Favored Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 176.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.06 149.45 65.0 Favored 'Trans proline' 0 N--CA 1.45 -1.054 0 C-N-CA 123.014 2.476 . . . . 0.0 111.004 -176.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 451' ' ' LYS . . . . . 0.485 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.3 ttmt -68.92 -56.1 9.68 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-O 119.288 -0.387 . . . . 0.0 110.36 174.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 452' ' ' PRO . . . . . 0.408 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 53.5 Cg_endo -67.74 168.99 17.01 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.92 2.413 . . . . 0.0 110.584 171.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -70.72 -12.11 61.35 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 117.475 -1.736 . . . . 0.0 110.972 -178.672 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.761 0 O4'-C1'-N19 111.79 3.59 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . 0.462 " H2'" H5'' ' A' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.493 0 C5'-C4'-C3' 111.633 -2.578 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ' G' . . . . . 0.462 H5'' " H2'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.011 0 C5'-C4'-C3' 111.186 -2.876 . 0.039 7r . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ' U' . . . . . 0.423 " H3'" " H5'" ' A' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.371 0 C5'-C4'-C3' 110.231 -3.513 . 0.095 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . 0.423 " H5'" " H3'" ' A' ' 4' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.413 -3.296 0 C5'-C4'-C3' 110.266 -3.489 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.177 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.76 -12.47 26.52 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.76 2.973 . . . . 0.0 111.688 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 80.5 mt -71.66 157.66 37.55 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 121.032 0.444 . . . . 0.0 110.828 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -79.67 -3.35 88.98 Favored Glycine 0 CA--C 1.529 0.921 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 178.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 45.9 t -65.44 152.4 44.04 Favored 'General case' 0 C--N 1.339 0.148 0 CA-C-N 117.225 0.512 . . . . 0.0 110.493 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 175.19 -158.93 26.86 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 -178.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 54.67 28.73 10.45 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.423 0.689 . . . . 0.0 112.024 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -59.89 149.62 31.03 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.014 0.525 . . . . 0.0 110.358 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 422' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -131.57 151.8 51.3 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -70.81 -1.72 12.54 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -174.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . -102.14 -5.73 49.39 Favored Glycine 0 CA--C 1.529 0.935 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -62.3 160.73 12.64 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.022 0.529 . . . . 0.0 112.254 -178.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 426' ' ' TRP . . . . . 0.429 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 63.7 p-90 -152.29 138.43 18.28 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.754 0.311 . . . . 0.0 110.296 178.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -87.77 145.51 26.08 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -178.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 49.8 t -60.19 131.99 90.03 Favored Pre-proline 0 N--CA 1.449 -0.519 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 178.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.26 -14.06 25.6 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.429 2.753 . . . . 0.0 111.625 -178.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -70.79 124.92 91.8 Favored Pre-proline 0 CA--C 1.532 0.253 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.01 -16.35 49.25 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 122.623 2.215 . . . . 0.0 110.401 176.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 1.6 p -93.39 8.25 41.26 Favored 'General case' 0 C--O 1.231 0.08 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 176.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 46.3 t -127.99 -68.77 0.76 Allowed 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 122.959 0.503 . . . . 0.0 110.49 -177.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 52.39 20.03 1.31 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.181 0.992 . . . . 0.0 112.723 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -70.41 139.1 51.76 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 122.147 -0.346 . . . . 0.0 110.334 178.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.66 100.05 8.48 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 176.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -83.88 148.41 26.98 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.882 0.372 . . . . 0.0 110.928 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -68.76 157.33 36.6 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 43.1 t -62.34 -32.72 73.53 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -173.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -80.08 -11.43 59.76 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -176.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -78.43 146.94 34.22 Favored 'General case' 0 C--N 1.341 0.208 0 O-C-N 122.006 -0.434 . . . . 0.0 110.64 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 442' ' ' ASN . . . . . 0.461 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 89.8 m-20 -111.87 -5.57 14.36 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 122.715 0.406 . . . . 0.0 110.512 174.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -141.81 159.89 41.3 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.245 0.618 . . . . 0.0 109.84 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 51.5 t -65.25 147.65 53.07 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.58 -176.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -83.8 -1.64 54.7 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.975 -177.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -134.52 -35.93 0.88 Allowed 'General case' 0 CA--C 1.527 0.095 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -171.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 26.4 p -122.94 2.72 9.39 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.535 0.334 . . . . 0.0 111.769 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm 57.66 17.5 4.1 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.903 0.881 . . . . 0.0 113.21 175.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -66.27 141.83 97.5 Favored Pre-proline 0 CA--C 1.533 0.314 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 150.43 67.9 Favored 'Trans proline' 0 N--CA 1.449 -1.09 0 C-N-CA 123.116 2.544 . . . . 0.0 111.043 -175.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 451' ' ' LYS . . . . . 0.461 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 21.4 ttmt -67.78 -56.34 11.98 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-O 119.135 -0.46 . . . . 0.0 110.208 174.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 452' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -67.33 169.27 15.79 Favored 'Trans proline' 0 N--CA 1.455 -0.769 0 C-N-CA 122.719 2.279 . . . . 0.0 110.678 171.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -71.81 -3.94 25.06 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.28 0 CA-C-O 117.295 -1.836 . . . . 0.0 110.671 -179.533 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C5'-C4'-C3' 109.861 -3.759 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.388 0 O4'-C1'-N19 110.609 2.409 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.478 1 O4'-C1'-N19 112.49 4.29 . 0.59 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.904 0 C1'-O4'-C4' 106.838 -3.069 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.647 1 C5'-C4'-C3' 109.493 -4.005 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.143 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.35 -12.19 33.1 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 123.748 2.965 . . . . 0.0 111.504 -178.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 75.2 mt -76.65 -6.17 50.94 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.663 0.385 . . . . 0.0 110.935 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 74.0 -174.18 49.5 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.319 -0.713 . . . . 0.0 111.319 -179.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 39.9 t -157.01 159.36 37.93 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 122.891 0.477 . . . . 0.0 109.937 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . -178.2 173.54 46.0 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -78.16 -8.97 58.95 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 122.602 0.361 . . . . 0.0 111.879 -179.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -60.3 151.27 28.04 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.544 0.337 . . . . 0.0 110.75 -177.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 422' ' ' ARG . . . . . 0.456 ' HD2' ' C6 ' ' A' ' 2' ' ' ' G' . 87.1 mtt180 -138.14 151.82 48.13 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-O 121.07 0.462 . . . . 0.0 110.638 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -63.13 126.62 27.99 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 105.96 -6.31 40.29 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -54.56 147.19 14.71 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 117.755 0.778 . . . . 0.0 111.479 173.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 426' ' ' TRP . . . . . 0.435 ' NE1' ' HE2' ' B' ' 451' ' ' LYS . 55.0 p-90 -152.91 144.55 23.47 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.413 -175.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -93.12 149.71 21.03 Favored 'General case' 0 CA--C 1.526 0.034 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 46.9 t -62.61 129.2 92.59 Favored Pre-proline 0 CA--C 1.535 0.392 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -74.05 -13.12 23.76 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 123.593 2.862 . . . . 0.0 111.615 -178.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -72.1 125.06 91.61 Favored Pre-proline 0 CA--C 1.533 0.295 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.21 -17.56 45.09 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.768 2.312 . . . . 0.0 110.797 178.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.5 p -90.43 -0.07 57.5 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 176.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 46.6 t -119.74 -68.26 0.92 Allowed 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.031 0.533 . . . . 0.0 110.352 -176.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 52.78 16.59 0.7 Allowed 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.088 0.955 . . . . 0.0 112.659 -178.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -68.79 145.36 53.85 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.5 tpt -85.23 133.89 34.16 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 177.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -120.43 144.87 47.72 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.745 0.307 . . . . 0.0 110.615 -176.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -71.69 158.1 36.76 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 94.4 p -61.25 -28.15 68.96 Favored 'General case' 0 C--O 1.231 0.082 0 C-N-CA 123.025 0.53 . . . . 0.0 112.4 -171.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 440' ' ' TRP . . . . . 0.46 ' CZ2' " H1'" ' A' ' 1' ' ' ' U' . 45.4 p-90 -86.6 -9.26 56.46 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -176.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -77.92 145.54 36.09 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 174.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 442' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -110.19 -6.84 14.96 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 122.699 0.4 . . . . 0.0 110.427 174.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -141.91 160.3 40.48 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.193 0.597 . . . . 0.0 110.156 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 49.2 t -64.14 148.77 49.17 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.251 -178.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -84.52 -0.84 54.56 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.065 -177.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -136.07 -34.55 0.8 Allowed 'General case' 0 C--O 1.232 0.141 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -171.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 28.9 p -123.4 3.08 9.11 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 122.63 0.372 . . . . 0.0 111.821 -179.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm 59.09 15.74 4.28 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.893 0.877 . . . . 0.0 112.977 175.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.92 139.92 97.94 Favored Pre-proline 0 CA--C 1.53 0.196 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.76 149.12 60.0 Favored 'Trans proline' 0 N--CA 1.451 -1.028 0 C-N-CA 122.733 2.288 . . . . 0.0 111.278 -176.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 451' ' ' LYS . . . . . 0.435 ' HE2' ' NE1' ' B' ' 426' ' ' TRP . 20.1 ttmt -67.76 -55.8 13.24 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-O 118.94 -0.552 . . . . 0.0 110.325 174.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 452' ' ' PRO . . . . . 0.41 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 50.0 Cg_endo -68.21 168.55 18.96 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.723 2.282 . . . . 0.0 110.576 172.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -71.53 -5.39 32.81 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.163 0 CA-C-O 117.257 -1.857 . . . . 0.0 110.398 -179.88 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ' U' . . . . . 0.46 " H1'" ' CZ2' ' B' ' 440' ' ' TRP . . . . . . . . 0 O4'--C4' 1.415 -3.205 1 O4'-C1'-N19 112.354 4.154 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . 0.456 ' C6 ' ' HD2' ' B' ' 422' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.916 0 N19-C1'-C2' 109.293 -2.567 . 0.539 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C5'-C4'-C3' 110.403 -3.398 . 0.457 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.091 0 C5'-C4'-C3' 110.442 -3.372 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C5'-C4'-C3' 111.442 -2.705 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.214 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -68.65 163.19 37.96 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 124.116 3.211 . . . . 0.0 110.913 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 67.9 tp -74.09 -22.0 59.67 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 122.465 0.306 . . . . 0.0 110.614 179.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -73.99 171.69 52.12 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 47.8 t -156.22 156.59 34.4 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 122.545 0.338 . . . . 0.0 110.293 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . -71.19 170.49 47.59 Favored Glycine 0 C--N 1.338 0.664 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -140.44 163.47 32.72 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.341 0.656 . . . . 0.0 110.089 -178.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -150.96 146.07 26.0 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 422' ' ' ARG . . . . . 0.514 ' HD2' ' C6 ' ' A' ' 2' ' ' ' G' . 91.9 mtt180 -137.68 153.33 49.82 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.269 0.628 . . . . 0.0 110.029 177.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -63.57 124.83 22.38 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 106.71 -7.45 38.95 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 178.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -56.59 150.23 15.96 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 117.854 0.827 . . . . 0.0 111.767 174.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 426' ' ' TRP . . . . . 0.431 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 57.2 p-90 -154.29 142.29 20.22 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.779 -175.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -93.73 147.45 23.03 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 49.5 t -60.21 131.49 89.93 Favored Pre-proline 0 N--CA 1.451 -0.423 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -73.7 -13.43 24.55 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 123.613 2.875 . . . . 0.0 111.564 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -70.88 124.85 91.69 Favored Pre-proline 0 CA--C 1.533 0.32 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.04 -17.33 51.03 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 122.718 2.279 . . . . 0.0 110.716 178.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.3 p -91.2 1.05 57.38 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 176.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 44.1 t -120.06 -68.44 0.91 Allowed 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 122.871 0.468 . . . . 0.0 110.813 -176.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 51.69 21.56 1.39 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.921 0.888 . . . . 0.0 112.688 -178.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -70.2 141.35 52.55 Favored 'General case' 0 N--CA 1.455 -0.222 0 O-C-N 122.221 -0.299 . . . . 0.0 110.359 178.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 4.3 tpt -82.64 103.2 11.99 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 177.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -90.59 147.33 23.4 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.967 0.413 . . . . 0.0 110.771 -178.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -72.27 157.27 38.02 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 90.6 p -60.4 -26.96 67.07 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -173.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 52.4 p-90 -87.17 -7.47 57.93 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -175.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 90.1 mtt-85 -82.0 148.19 28.79 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 117.626 0.194 . . . . 0.0 110.516 175.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 442' ' ' ASN . . . . . 0.476 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 90.7 m-20 -113.76 -6.06 13.29 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.442 174.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -139.2 160.08 40.65 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.491 0.716 . . . . 0.0 109.783 178.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 49.6 t -65.2 147.53 53.3 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 121.007 0.432 . . . . 0.0 110.087 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -87.89 2.29 51.89 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.142 -176.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -135.17 -31.48 0.99 Allowed 'General case' 0 C--O 1.232 0.139 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -171.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 26.7 p -132.68 4.17 3.88 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 122.45 0.3 . . . . 0.0 111.773 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp 56.66 17.79 3.31 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.09 140.29 97.86 Favored Pre-proline 0 N--CA 1.454 -0.247 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 174.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -69.47 149.58 68.89 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 123.104 2.536 . . . . 0.0 110.833 -175.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 451' ' ' LYS . . . . . 0.476 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.8 ttmt -67.99 -55.27 13.74 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-O 119.077 -0.487 . . . . 0.0 110.093 174.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 452' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 51.1 Cg_endo -68.5 178.55 3.7 Favored 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 122.978 2.452 . . . . 0.0 110.949 171.237 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 18.1 p30 -71.06 -6.01 35.82 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.17 0 CA-C-O 116.929 -2.039 . . . . 0.0 110.93 -178.909 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.794 0 O4'-C1'-N19 112.004 3.804 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . 0.514 ' C6 ' ' HD2' ' B' ' 422' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 O4'-C1'-N19 111.322 3.122 . 0.0 OUTLIER '7D dist 8d' 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.623 0 O4'-C1'-N19 112.061 3.861 . 0.522 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.806 0 C5'-C4'-C3' 110.054 -3.631 . 0.383 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C5'-C4'-C3' 111.488 -2.675 . 0.318 5p . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.083 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 415' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -69.24 168.68 20.18 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.868 3.045 . . . . 0.0 110.788 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 63.2 tp -65.45 152.73 43.25 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -72.41 -168.87 11.99 Favored Glycine 0 CA--C 1.529 0.91 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 91.6 p -67.88 -12.12 60.03 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 122.66 0.384 . . . . 0.0 111.472 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 69.79 -162.02 52.62 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 177.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 420' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -153.87 154.3 33.64 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 421' ' ' GLN . . . . . . . . . . . . . 22.7 pt20 -142.69 147.69 36.09 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 422' ' ' ARG . . . . . 0.474 ' HD2' ' C6 ' ' A' ' 2' ' ' ' G' . 92.1 mtt180 -143.26 152.21 41.44 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 123.402 0.681 . . . . 0.0 109.911 177.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 423' ' ' ALA . . . . . . . . . . . . . . . -62.47 126.19 26.49 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 424' ' ' GLY . . . . . . . . . . . . . . . 105.12 -5.81 42.37 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.549 -0.62 . . . . 0.0 111.549 178.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -59.81 155.93 15.18 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 117.799 0.8 . . . . 0.0 111.662 172.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 426' ' ' TRP . . . . . 0.42 ' CZ2' ' HB2' ' B' ' 451' ' ' LYS . 56.0 p-90 -154.07 143.88 21.79 Favored 'General case' 0 CA--C 1.524 -0.036 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.337 -176.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -92.81 148.76 21.76 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 428' ' ' CYS . . . . . . . . . . . . . 49.3 t -61.32 129.8 91.19 Favored Pre-proline 0 N--CA 1.452 -0.348 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 429' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.96 -13.21 23.96 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 123.552 2.835 . . . . 0.0 111.628 -179.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 430' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -72.5 124.26 90.57 Favored Pre-proline 0 N--CA 1.455 -0.195 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 431' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.27 -18.3 50.31 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 122.574 2.183 . . . . 0.0 110.625 177.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 2.3 p -89.45 1.04 56.41 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 176.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 433' ' ' CYS . . . . . . . . . . . . . 46.5 t -121.71 -68.96 0.86 Allowed 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.007 0.523 . . . . 0.0 110.56 -176.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 434' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 52.8 17.13 0.79 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.27 1.028 . . . . 0.0 112.871 -178.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 435' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -68.11 145.94 53.93 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 177.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 436' ' ' MET . . . . . . . . . . . . . 10.3 tpt -85.68 128.47 34.79 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 437' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -115.82 144.73 43.6 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.882 0.372 . . . . 0.0 110.67 -176.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 438' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -71.5 157.8 37.38 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 439' ' ' SER . . . . . . . . . . . . . 29.6 t -61.65 -31.36 71.46 Favored 'General case' 0 C--O 1.231 0.1 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -173.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 440' ' ' TRP . . . . . . . . . . . . . 50.9 p-90 -79.85 -9.06 59.62 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -177.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -80.93 151.18 28.68 Favored 'General case' 0 C--N 1.338 0.106 0 CA-C-N 118.107 0.412 . . . . 0.0 110.65 175.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 442' ' ' ASN . . . . . 0.501 ' HA ' ' HE3' ' B' ' 451' ' ' LYS . 89.2 m-20 -118.24 -7.58 10.73 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.71 0.404 . . . . 0.0 110.252 174.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 443' ' ' GLU . . . . . . . . . . . . . 29.9 mp0 -136.64 157.83 45.85 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.592 0.757 . . . . 0.0 109.819 178.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 444' ' ' CYS . . . . . . . . . . . . . 44.8 t -64.54 147.76 52.16 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 122.829 0.452 . . . . 0.0 110.534 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 445' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -81.51 -2.51 50.09 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 122.756 0.423 . . . . 0.0 111.407 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -134.48 -40.18 0.8 Allowed 'General case' 0 C--N 1.342 0.259 0 CA-C-N 118.1 0.409 . . . . 0.0 112.045 -172.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 27.2 p -114.81 0.57 13.84 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.397 0.279 . . . . 0.0 111.5 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 448' ' ' LYS . . . . . . . . . . . . . 95.7 mttt 57.39 19.02 4.8 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.069 0.948 . . . . 0.0 112.678 177.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . . . . . . . . . . . -65.34 140.41 97.76 Favored Pre-proline 0 N--CA 1.454 -0.246 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 175.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 450' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.1 149.1 64.27 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.037 2.491 . . . . 0.0 110.772 -176.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 451' ' ' LYS . . . . . 0.501 ' HE3' ' HA ' ' B' ' 442' ' ' ASN . 20.8 ttmt -67.51 -55.95 13.57 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-O 119.166 -0.445 . . . . 0.0 110.607 174.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 452' ' ' PRO . . . . . 0.401 ' HD2' ' N ' ' B' ' 451' ' ' LYS . 55.7 Cg_endo -68.49 171.47 12.96 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 123.062 2.508 . . . . 0.0 110.161 172.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -71.35 -5.05 29.59 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.135 0 CA-C-O 117.323 -1.821 . . . . 0.0 110.713 179.858 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.356 0 O4'-C1'-N19 111.371 3.171 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . 0.474 ' C6 ' ' HD2' ' B' ' 422' ' ' ARG . . . . . . . . 0 O4'--C4' 1.425 -2.308 0 O4'-C1'-N19 111.295 3.095 . 0.01 8d . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.619 0 O4'-C1'-N19 111.773 3.573 . 0.499 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C5'-C4'-C3' 109.552 -3.965 . 0.419 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.095 1 O4'-C1'-N19 112.345 4.145 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_